 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_wB97XD-augccpVDZr.in
 Output=15_2carene_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/15_2carene_STD/Gau-24399.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24400.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=15_2carene_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:57:15 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0191432434 Hartrees.
 Nuclear repulsion after empirical dispersion term =      548.8148234238 Hartrees.
 Leave Link  301 at Thu Jul  8 21:57:19 2021, MaxMem= 10737418240 cpu:              34.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  4.37D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:              10.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:57:21 2021, MaxMem= 10737418240 cpu:              10.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.587431145356    
 DIIS: error= 1.91D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.587431145356     IErMin= 1 ErrMin= 1.91D-03
 ErrMax= 1.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-03 BMatP= 4.53D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.91D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.384 Goal=   None    Shift=    0.000
 GapD=    0.384 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.73D-02 MaxDP=1.37D+00              OVMax= 1.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.49D-02    CP:  1.30D+00
 E= -390.591269635371     Delta-E=       -0.003838490015 Rises=F Damp=F
 DIIS: error= 1.68D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.591269635371     IErMin= 2 ErrMin= 1.68D-04
 ErrMax= 1.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-05 BMatP= 4.53D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.68D-03
 Coeff-Com: -0.611D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.610D-01 0.106D+01
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=2.45D-03 MaxDP=2.73D-01 DE=-3.84D-03 OVMax= 3.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.63D-04    CP:  1.34D+00  1.14D+00
 E= -390.591367482855     Delta-E=       -0.000097847484 Rises=F Damp=F
 DIIS: error= 1.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.591367482855     IErMin= 3 ErrMin= 1.20D-04
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.71D-06 BMatP= 5.84D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.20D-03
 Coeff-Com: -0.227D-01 0.273D+00 0.749D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.227D-01 0.273D+00 0.750D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=1.63D-04 MaxDP=1.52D-02 DE=-9.78D-05 OVMax= 1.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.39D-05    CP:  1.34D+00  1.14D+00  1.09D+00
 E= -390.591377775922     Delta-E=       -0.000010293066 Rises=F Damp=F
 DIIS: error= 3.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.591377775922     IErMin= 4 ErrMin= 3.76D-05
 ErrMax= 3.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-06 BMatP= 9.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.449D-03-0.590D-01 0.257D+00 0.802D+00
 Coeff:      0.449D-03-0.590D-01 0.257D+00 0.802D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=6.19D-05 MaxDP=6.48D-03 DE=-1.03D-05 OVMax= 3.97D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.75D-05    CP:  1.34D+00  1.14D+00  1.14D+00  1.06D+00
 E= -390.591379987185     Delta-E=       -0.000002211264 Rises=F Damp=F
 DIIS: error= 9.07D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.591379987185     IErMin= 5 ErrMin= 9.07D-06
 ErrMax= 9.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-07 BMatP= 1.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.369D-01 0.310D-01 0.245D+00 0.759D+00
 Coeff:      0.173D-02-0.369D-01 0.310D-01 0.245D+00 0.759D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=9.04D-06 MaxDP=3.94D-04 DE=-2.21D-06 OVMax= 2.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.13D-06    CP:  1.34D+00  1.14D+00  1.15D+00  1.10D+00  1.11D+00
 E= -390.591380118222     Delta-E=       -0.000000131037 Rises=F Damp=F
 DIIS: error= 4.00D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.591380118222     IErMin= 6 ErrMin= 4.00D-06
 ErrMax= 4.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-08 BMatP= 1.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.566D-03-0.806D-02-0.703D-02 0.252D-01 0.290D+00 0.699D+00
 Coeff:      0.566D-03-0.806D-02-0.703D-02 0.252D-01 0.290D+00 0.699D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=4.32D-06 MaxDP=6.12D-04 DE=-1.31D-07 OVMax= 5.10D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.38D-06    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.15D+00
                    CP:  1.07D+00
 E= -390.591380136228     Delta-E=       -0.000000018006 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.591380136228     IErMin= 7 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-09 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.395D-04 0.207D-02-0.643D-02-0.254D-01-0.182D-02 0.206D+00
 Coeff-Com:  0.825D+00
 Coeff:     -0.395D-04 0.207D-02-0.643D-02-0.254D-01-0.182D-02 0.206D+00
 Coeff:      0.825D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=2.20D-06 MaxDP=2.87D-04 DE=-1.80D-08 OVMax= 4.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.89D-07    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.16D+00
                    CP:  1.12D+00  1.19D+00
 E= -390.591380138856     Delta-E=       -0.000000002628 Rises=F Damp=F
 DIIS: error= 3.72D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.591380138856     IErMin= 8 ErrMin= 3.72D-07
 ErrMax= 3.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-10 BMatP= 1.30D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.784D-04 0.167D-02-0.183D-02-0.133D-01-0.370D-01-0.230D-01
 Coeff-Com:  0.336D+00 0.738D+00
 Coeff:     -0.784D-04 0.167D-02-0.183D-02-0.133D-01-0.370D-01-0.230D-01
 Coeff:      0.336D+00 0.738D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=5.86D-07 MaxDP=7.09D-05 DE=-2.63D-09 OVMax= 1.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.71D-07    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.16D+00
                    CP:  1.13D+00  1.32D+00  1.15D+00
 E= -390.591380139242     Delta-E=       -0.000000000386 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.591380139242     IErMin= 9 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-11 BMatP= 2.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.723D-05 0.274D-04 0.483D-03 0.119D-02-0.356D-02-0.303D-01
 Coeff-Com: -0.271D-01 0.657D-01 0.994D+00
 Coeff:     -0.723D-05 0.274D-04 0.483D-03 0.119D-02-0.356D-02-0.303D-01
 Coeff:     -0.271D-01 0.657D-01 0.994D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=1.98D-07 MaxDP=1.14D-05 DE=-3.86D-10 OVMax= 4.90D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.98D-08    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.15D+00
                    CP:  1.13D+00  1.35D+00  1.23D+00  1.14D+00
 E= -390.591380139311     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 3.08D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.591380139311     IErMin=10 ErrMin= 3.08D-08
 ErrMax= 3.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-12 BMatP= 1.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.512D-05-0.139D-03 0.241D-03 0.134D-02 0.262D-02-0.601D-02
 Coeff-Com: -0.295D-01-0.534D-01 0.216D+00 0.869D+00
 Coeff:      0.512D-05-0.139D-03 0.241D-03 0.134D-02 0.262D-02-0.601D-02
 Coeff:     -0.295D-01-0.534D-01 0.216D+00 0.869D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=5.67D-08 MaxDP=4.42D-06 DE=-6.92D-11 OVMax= 1.18D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.74D-08    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.15D+00
                    CP:  1.13D+00  1.36D+00  1.23D+00  1.19D+00  1.21D+00
 E= -390.591380139306     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 9.95D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.591380139311     IErMin=11 ErrMin= 9.95D-09
 ErrMax= 9.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-13 BMatP= 1.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-05-0.508D-04 0.351D-04 0.327D-03 0.131D-02 0.580D-03
 Coeff-Com: -0.634D-02-0.266D-01-0.233D-01 0.278D+00 0.776D+00
 Coeff:      0.252D-05-0.508D-04 0.351D-04 0.327D-03 0.131D-02 0.580D-03
 Coeff:     -0.634D-02-0.266D-01-0.233D-01 0.278D+00 0.776D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=8.28D-07 DE= 4.66D-12 OVMax= 3.12D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.38D-09    CP:  1.34D+00  1.14D+00  1.14D+00  1.10D+00  1.15D+00
                    CP:  1.13D+00  1.36D+00  1.23D+00  1.21D+00  1.29D+00
                    CP:  1.13D+00
 E= -390.591380139288     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 3.37D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.591380139311     IErMin=12 ErrMin= 3.37D-09
 ErrMax= 3.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-14 BMatP= 1.75D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.277D-06 0.100D-04-0.205D-04-0.120D-03-0.106D-03 0.660D-03
 Coeff-Com:  0.324D-02 0.190D-02-0.278D-01-0.700D-01 0.104D+00 0.988D+00
 Coeff:     -0.277D-06 0.100D-04-0.205D-04-0.120D-03-0.106D-03 0.660D-03
 Coeff:      0.324D-02 0.190D-02-0.278D-01-0.700D-01 0.104D+00 0.988D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=6.14D-09 MaxDP=3.54D-07 DE= 1.84D-11 OVMax= 1.21D-07

 SCF Done:  E(RwB97XD) =  -390.591380139     A.U. after   12 cycles
            NFock= 12  Conv=0.61D-08     -V/T= 2.0065
 KE= 3.880633233298D+02 PE=-2.001597137836D+03 EE= 6.741276109427D+02
 Leave Link  502 at Thu Jul  8 22:01:52 2021, MaxMem= 10737418240 cpu:            4326.3 elap:             270.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.88597794D+02

 Leave Link  801 at Thu Jul  8 22:01:53 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.39D-01 4.45D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 2.63D-02 4.15D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.03D-03 6.57D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.48D-04 2.14D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 9.83D-06 5.29D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 4.04D-07 1.12D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.07D-08 1.46D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 3.05D-10 2.80D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 7.15D-12 3.11D-07.
      7 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.26D-13 3.95D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-13
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146076D+03
      2 -0.520217D+01  0.112388D+03
      3 -0.281368D+01  0.141005D+01  0.101130D+03
 Isotropic polarizability for W=    0.085645      119.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.408677D+02 -0.110377D+02  0.980880D+01
      2   0.570100D+01  0.984879D+01 -0.184109D+02
      3   0.351667D+02  0.118893D+01  0.860208D+01
      4  -0.343696D+02 -0.208969D+02 -0.895938D+01
      5   0.177932D+02 -0.115599D+02  0.310205D+02
      6   0.414990D+01 -0.266852D+01 -0.885528D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.469348D+01  0.263688D+00  0.204103D+01
      2   0.267930D+02 -0.567673D+01  0.886158D+01
      3  -0.193982D+02  0.100888D+02  0.832936D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.260056D+01  0.157424D+02  0.100442D+02
      2  -0.798442D+01 -0.131093D+02 -0.414617D+01
      3  -0.233319D+02  0.265979D+02  0.157098D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.676176D+00 -0.579442D+01  0.267834D+01
      2  -0.579442D+01 -0.145938D+01 -0.193113D+01
      3   0.267834D+01 -0.193113D+01 -0.125765D+01
 OR G Eigenvalues:    -6.2964    -2.5853     6.8408  Iso=     0.6803
 Eigenvectors:
   (1)   0.650706   0.757288  -0.055646
   (2)  -0.252739   0.285106   0.924574
   (3)   0.716034  -0.587562   0.376916
 w=    0.085645 a.u., Optical Rotation Beta=      0.6803 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      236.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.61D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.32D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.89D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.06D-02 1.78D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.31D-03 3.91D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.27D-05 5.73D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 3.97D-07 7.22D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 3.82D-09 7.25D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 3.67D-11 5.93D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 2.91D-13 5.28D-08.
     10 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 5.38D-15 5.56D-09.
      4 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 3.00D-15 4.99D-09.
      2 vectors produced by pass 10 Test12= 3.55D-14 2.78D-09 XBig12= 3.30D-15 6.64D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.36D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.36D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.45D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146076D+03 -0.520217D+01 -0.281368D+01
      2  -0.520217D+01  0.112388D+03  0.141005D+01
      3  -0.281368D+01  0.141005D+01  0.101130D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.469348D+01  0.263688D+00  0.204103D+01
      2   0.267930D+02 -0.567673D+01  0.886158D+01
      3  -0.193982D+02  0.100888D+02  0.832936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.408677D+02 -0.110377D+02  0.980880D+01
      2   0.570100D+01  0.984879D+01 -0.184109D+02
      3   0.351667D+02  0.118893D+01  0.860208D+01
      4  -0.343696D+02 -0.208969D+02 -0.895938D+01
      5   0.177932D+02 -0.115599D+02  0.310205D+02
      6   0.414990D+01 -0.266852D+01 -0.885528D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.227775D+02 -0.571474D+00 -0.147870D+01 -0.267732D+01 -0.177857D+01
      2  -0.571474D+00  0.429413D+00 -0.203492D+00 -0.177857D+01 -0.619047D+01
      3  -0.147870D+01 -0.203492D+00 -0.410228D+01  0.478972D+00 -0.130516D+01
                 6             7             8             9            10 
      1   0.478972D+00 -0.576554D+01 -0.225875D+01 -0.554808D+01 -0.282263D+01
      2  -0.130516D+01 -0.225875D+01  0.341340D+00  0.135139D+01  0.234608D+01
      3   0.705123D+00 -0.554808D+01  0.135139D+01  0.281463D+01 -0.253183D+00
                11            12            13            14            15 
      1   0.234608D+01 -0.253183D+00 -0.327860D+00 -0.213977D+01  0.804737D+00
      2  -0.111645D+01  0.300370D+01 -0.213977D+01  0.592469D+01  0.146099D+01
      3   0.300370D+01 -0.184368D+01  0.804737D+00  0.146099D+01  0.435606D+00
                16            17            18            19            20 
      1  -0.122612D+01  0.449862D+01 -0.109120D+01  0.267346D+02 -0.441345D+01
      2   0.449862D+01  0.224587D+01  0.169353D+00 -0.441345D+01  0.472757D+01
      3  -0.109120D+01  0.169353D+00  0.131993D+01 -0.235269D+01 -0.124261D+00
                21            22            23            24            25 
      1  -0.235269D+01 -0.689524D+01  0.473180D+01  0.860251D+00 -0.654371D+01
      2  -0.124261D+00  0.473180D+01  0.354041D+01  0.175522D+00  0.181092D-01
      3   0.222355D+01  0.860251D+00  0.175522D+00 -0.279136D+01  0.404165D+01
                26            27            28            29            30 
      1   0.181092D-01  0.404165D+01 -0.225143D+02  0.524362D+01  0.271491D+01
      2  -0.661328D+00 -0.314464D+01  0.524362D+01 -0.385822D+01 -0.902732D+00
      3  -0.314464D+01 -0.452090D+01  0.271491D+01 -0.902732D+00 -0.366880D+01
                31            32            33            34            35 
      1   0.105129D+02 -0.628855D+01 -0.752625D+00  0.696942D+01 -0.143340D+01
      2  -0.628855D+01  0.126868D+01  0.130139D+00 -0.143340D+01  0.102340D+01
      3  -0.752625D+00  0.130139D+00  0.233688D+01 -0.495536D+01  0.102711D+01
                36            37            38            39            40 
      1  -0.495536D+01  0.114445D+02 -0.326882D+01  0.826893D-01 -0.358888D+01
      2   0.102711D+01 -0.326882D+01 -0.330288D+00 -0.446781D+00  0.133459D+01
      3   0.250110D+01  0.826893D-01 -0.446781D+00  0.267033D+01 -0.465855D+00
                41            42            43            44            45 
      1   0.133459D+01 -0.465855D+00 -0.156813D+00 -0.149041D+00  0.635487D+01
      2   0.627937D+01  0.137016D+01 -0.149041D+00  0.171432D+01 -0.132052D+01
      3   0.137016D+01 -0.154835D+01  0.635487D+01 -0.132052D+01 -0.500116D+01
                46            47            48            49            50 
      1  -0.106913D+01 -0.339881D+01 -0.206409D+01 -0.512635D+01  0.483024D+01
      2  -0.339881D+01  0.179712D+01  0.828664D-01  0.483024D+01 -0.781359D+00
      3  -0.206409D+01  0.828664D-01  0.249452D+01 -0.321126D+00  0.757152D+00
                51            52            53            54            55 
      1  -0.321126D+00 -0.210924D+01 -0.796682D+00  0.459790D+01  0.231555D+01
      2   0.757152D+00 -0.796682D+00  0.240299D+01 -0.355290D+01  0.153973D+01
      3  -0.240794D+01  0.459790D+01 -0.355290D+01  0.208964D+01  0.123043D+01
                56            57            58            59            60 
      1   0.153973D+01  0.123043D+01  0.199299D+01 -0.879220D+00 -0.164994D+00
      2  -0.368375D+00  0.914154D-01 -0.879220D+00 -0.744146D+01 -0.120583D+00
      3   0.914154D-01 -0.985471D+00 -0.164994D+00 -0.120583D+00  0.139779D+01
                61            62            63            64            65 
      1   0.176031D+01  0.204014D+00 -0.109993D+01  0.133416D+02 -0.128397D+01
      2   0.204014D+00  0.703834D+00  0.516385D+00 -0.128397D+01  0.203033D+01
      3  -0.109993D+01  0.516385D+00 -0.512400D+01  0.466857D+01 -0.803619D+00
                66            67            68            69            70 
      1   0.466857D+01  0.229474D+01  0.590574D+01  0.605306D+00  0.125986D+02
      2  -0.803619D+00  0.590574D+01 -0.420531D+01  0.122503D+01 -0.228017D+00
      3   0.318440D+01  0.605306D+00  0.122503D+01  0.100075D+01  0.439547D+01
                71            72            73            74            75 
      1  -0.228017D+00  0.439547D+01  0.419109D+01 -0.106182D+01 -0.190613D+01
      2   0.389916D+00  0.108378D+01 -0.106182D+01  0.350293D+00  0.500728D+00
      3   0.108378D+01 -0.133631D+01 -0.190613D+01  0.500728D+00  0.246872D+01
                76            77            78            79            80 
      1  -0.289201D+01  0.268882D+00  0.268475D+00 -0.233787D+01  0.589293D+00
      2   0.268882D+00 -0.684994D+00 -0.138195D+01  0.589293D+00 -0.179446D+01
      3   0.268475D+00 -0.138195D+01 -0.219769D+01  0.302657D+01 -0.261200D+01
                81            82            83            84            85 
      1   0.302657D+01  0.281961D+01  0.148451D+01 -0.123878D+01  0.113659D+01
      2  -0.261200D+01  0.148451D+01  0.178004D+01 -0.152262D+01  0.144092D+01
      3  -0.813193D+01 -0.123878D+01 -0.152262D+01  0.181253D+01 -0.132446D+01
                86            87            88            89            90 
      1   0.144092D+01 -0.132446D+01 -0.194757D+01 -0.179725D+01  0.150593D+01
      2   0.415835D+01 -0.232737D+01 -0.179725D+01 -0.267420D+01  0.210787D+01
      3  -0.232737D+01  0.203266D+01  0.150593D+01  0.210787D+01 -0.277118D+01
                91            92            93            94            95 
      1   0.176909D+00 -0.145479D+01 -0.621455D+00 -0.172641D+01 -0.128924D+01
      2  -0.145479D+01 -0.107812D+01  0.134360D+00 -0.128924D+01 -0.102175D+02
      3  -0.621455D+00  0.134360D+00  0.227900D+00 -0.258918D-01 -0.171255D+01
                96            97            98            99           100 
      1  -0.258918D-01 -0.209318D+01  0.289270D+00 -0.614336D+00 -0.565490D+00
      2  -0.171255D+01  0.289270D+00 -0.825707D+00 -0.432496D+00 -0.627913D+00
      3  -0.108850D+01 -0.614336D+00 -0.432496D+00 -0.266038D-01 -0.342484D+00
               101           102           103           104           105 
      1  -0.627913D+00 -0.342484D+00 -0.279328D+01 -0.321041D+01 -0.682213D-01
      2  -0.353181D+00 -0.440198D-01 -0.321041D+01 -0.829468D+01 -0.473058D+00
      3  -0.440198D-01 -0.216437D+00 -0.682213D-01 -0.473058D+00 -0.106840D+01
               106           107           108           109           110 
      1  -0.856869D+00 -0.427029D+00 -0.771653D+00 -0.111024D+02  0.134659D+01
      2  -0.427029D+00 -0.105877D+01 -0.869291D+00  0.134659D+01 -0.109561D+01
      3  -0.771653D+00 -0.869291D+00 -0.395766D-01 -0.213643D+01  0.620362D+00
               111           112           113           114           115 
      1  -0.213643D+01  0.500214D+01 -0.155874D+01  0.650276D+00 -0.517776D+01
      2   0.620362D+00 -0.155874D+01  0.779053D+00 -0.871386D+00  0.621485D+00
      3  -0.174800D+01  0.650276D+00 -0.871386D+00  0.999628D+00 -0.312440D+01
               116           117           118           119           120 
      1   0.621485D+00 -0.312440D+01 -0.460385D+01  0.184993D+00  0.193017D+01
      2  -0.116124D+01  0.751344D+00  0.184993D+00 -0.164772D+00  0.686789D-01
      3   0.751344D+00 -0.122152D+01  0.193017D+01  0.686789D-01 -0.188726D+01
               121           122           123           124           125 
      1   0.227265D+01 -0.809491D+00 -0.632032D+00  0.583596D+01  0.555982D+00
      2  -0.809491D+00 -0.170742D+00  0.839403D+00  0.555982D+00  0.106101D+01
      3  -0.632032D+00  0.839403D+00  0.101395D+01 -0.508521D+01  0.368468D+00
               126           127           128           129           130 
      1  -0.508521D+01 -0.533958D+01  0.254282D+01  0.250200D+01  0.233257D+01
      2   0.368468D+00  0.254282D+01 -0.228019D+01 -0.102774D+01 -0.207305D+01
      3   0.734230D+01  0.250200D+01 -0.102774D+01 -0.179036D+01 -0.855951D+00
               131           132           133           134           135 
      1  -0.207305D+01 -0.855951D+00  0.397877D+01 -0.146075D+01 -0.292582D+01
      2   0.189921D+01  0.115755D+01 -0.146075D+01  0.170898D+01  0.212425D+01
      3   0.115755D+01  0.123254D+01 -0.292582D+01  0.212425D+01  0.253799D+01
               136           137           138           139           140 
      1  -0.224030D+01  0.203723D+01 -0.106214D+01  0.198196D+01 -0.219338D+01
      2   0.203723D+01 -0.163641D+01  0.672946D+00 -0.219338D+01  0.362905D+01
      3  -0.106214D+01  0.672946D+00 -0.117681D+01  0.102512D+01 -0.211065D+01
               141           142           143           144           145 
      1   0.102512D+01 -0.279064D+01  0.222511D+01 -0.305645D+01  0.110239D+00
      2  -0.211065D+01  0.222511D+01 -0.445829D+01  0.317807D+01 -0.282815D+00
      3   0.180738D+01 -0.305645D+01  0.317807D+01 -0.462650D+01  0.688064D+00
               146           147           148           149           150 
      1  -0.282815D+00  0.688064D+00 -0.911729D+00  0.687131D+00 -0.312382D+00
      2   0.378683D+00 -0.377732D-01  0.687131D+00  0.538097D-01  0.103591D+01
      3  -0.377732D-01  0.593626D+00 -0.312382D+00  0.103591D+01 -0.735704D+00
               151           152           153           154           155 
      1   0.155672D+01 -0.396447D+00  0.680146D+00  0.272096D+00  0.115435D+01
      2  -0.396447D+00  0.153622D+01  0.103974D+01  0.115435D+01  0.619266D+00
      3   0.680146D+00  0.103974D+01  0.700271D+01 -0.123112D+00  0.815101D-01
               156           157           158           159           160 
      1  -0.123112D+00  0.112989D+01  0.363913D+00  0.674126D-01 -0.511132D+00
      2   0.815101D-01  0.363913D+00  0.121361D+02  0.546742D+00  0.688769D-01
      3   0.202802D+00  0.674126D-01  0.546742D+00  0.815259D+00  0.127273D+00
               161           162           163           164           165 
      1   0.688769D-01  0.127273D+00  0.407369D+01  0.299815D+00 -0.322615D+01
      2  -0.105594D+01  0.111042D+01  0.299815D+00 -0.331801D+01 -0.546910D+00
      3   0.111042D+01  0.337433D+00 -0.322615D+01 -0.546910D+00 -0.193833D+01
               166           167           168           169           170 
      1  -0.164790D+00 -0.470916D+01 -0.860918D+00 -0.421802D+01 -0.658751D+00
      2  -0.470916D+01  0.559448D+01 -0.327523D+01 -0.658751D+00 -0.177078D+01
      3  -0.860918D+00 -0.327523D+01 -0.331220D+01 -0.275945D+01 -0.271955D+01
               171           172           173           174           175 
      1  -0.275945D+01 -0.230625D+01 -0.766045D+00 -0.362554D+01 -0.163438D+01
      2  -0.271955D+01 -0.766045D+00 -0.362632D+01 -0.966671D+00 -0.602763D+01
      3  -0.640440D-01 -0.362554D+01 -0.966671D+00 -0.112637D+01 -0.137524D+01
               176           177           178           179           180 
      1  -0.602763D+01 -0.137524D+01 -0.439956D+01 -0.140627D+01 -0.241010D+01
      2   0.514368D+01 -0.181896D+00 -0.140627D+01 -0.707205D+00 -0.290784D+01
      3  -0.181896D+00 -0.290664D+01 -0.241010D+01 -0.290784D+01  0.478258D+01
               181           182           183           184           185 
      1  -0.572548D+01 -0.270601D+00  0.126802D+01 -0.303633D+00 -0.276721D+00
      2  -0.270601D+00 -0.816114D+00  0.658961D+00 -0.276721D+00 -0.515085D+00
      3   0.126802D+01  0.658961D+00 -0.244868D+01  0.368988D+00  0.537234D+00
               186           187           188           189           190 
      1   0.368988D+00  0.136382D+01  0.308976D+00 -0.104020D+01  0.276055D+01
      2   0.537234D+00  0.308976D+00  0.564862D+00  0.829309D-01  0.756126D+00
      3   0.183680D+00 -0.104020D+01  0.829309D-01  0.149787D+01  0.269709D+01
               191           192           193           194           195 
      1   0.756126D+00  0.269709D+01  0.209514D+01  0.164222D+01  0.191513D+01
      2   0.131287D+01  0.649083D+00  0.164222D+01  0.128221D+01  0.189280D+01
      3   0.649083D+00  0.309641D+01  0.191513D+01  0.189280D+01  0.374412D+01
               196           197           198           199           200 
      1   0.209320D+01  0.813751D+00  0.287974D+01  0.162913D+01 -0.182619D+01
      2   0.813751D+00  0.132458D+01  0.158500D+01 -0.182619D+01  0.240719D+01
      3   0.287974D+01  0.158500D+01  0.540252D+01  0.124568D+01 -0.797351D+00
               201           202           203           204           205 
      1   0.124568D+01 -0.243567D+01  0.329074D+01 -0.109941D+01  0.477706D+00
      2  -0.797351D+00  0.329074D+01 -0.773968D+01  0.292909D+01 -0.252551D+00
      3   0.131510D+01 -0.109941D+01  0.292909D+01 -0.209471D+01  0.854539D+00
               206           207           208           209           210 
      1  -0.252551D+00  0.854539D+00  0.496703D+00  0.472124D+00 -0.822543D+00
      2   0.945851D+00 -0.956721D+00  0.472124D+00  0.431371D+00 -0.543458D-01
      3  -0.956721D+00  0.930285D+00 -0.822543D+00 -0.543458D-01  0.841260D+00
               211           212           213           214           215 
      1   0.123090D+01  0.101720D+01 -0.533907D+00 -0.276390D+01 -0.229746D+00
      2   0.101720D+01  0.359989D+00 -0.103608D+01 -0.229746D+00 -0.128721D+01
      3  -0.533907D+00 -0.103608D+01  0.194770D+01  0.270650D+01  0.150235D+01
               216           217           218           219           220 
      1   0.270650D+01  0.333918D+01 -0.207420D+01  0.181178D+00 -0.521946D+01
      2   0.150235D+01 -0.207420D+01  0.216526D+01  0.138744D+00  0.482833D+01
      3  -0.702139D+01  0.181178D+00  0.138744D+00  0.369264D+00  0.583508D+00
               221           222           223           224           225 
      1   0.482833D+01  0.583508D+00  0.926415D+00  0.367602D-01  0.985544D+00
      2  -0.730510D+01 -0.221074D+00  0.367602D-01  0.173819D+00 -0.604766D+00
      3  -0.221074D+00 -0.101508D+01  0.985544D+00 -0.604766D+00 -0.327488D+00
               226           227           228           229           230 
      1   0.736149D+01  0.189292D+01  0.204461D+01  0.471455D+01  0.289221D+01
      2   0.189292D+01  0.161265D+01  0.774968D+00  0.289221D+01  0.149733D+01
      3   0.204461D+01  0.774968D+00  0.143206D+01  0.116484D+01  0.959257D+00
               231           232           233           234 
      1   0.116484D+01  0.533696D+01  0.126443D+01  0.232603D+01
      2   0.959257D+00  0.126443D+01  0.131814D+01  0.112224D+01
      3   0.151353D+01  0.232603D+01  0.112224D+01  0.165360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.246740D+01 -0.967167D+00 -0.227150D+01 -0.115999D+01  0.753947D+01
      2  -0.313227D+02  0.530569D+00 -0.387136D+01 -0.323877D+01 -0.428382D+01
      3   0.311190D+02 -0.512817D+01  0.176026D+01  0.180277D+02  0.890797D+01
                 6             7             8             9            10 
      1   0.713198D+00  0.969132D+00  0.414880D+01  0.208661D+01  0.154072D+01
      2  -0.247904D+00 -0.218913D+02 -0.179593D+01 -0.541381D+01 -0.324243D+01
      3   0.312068D+01  0.115342D+02 -0.117217D+01  0.585764D+01 -0.689520D+01
                11            12            13            14            15 
      1  -0.330159D+01 -0.612124D+00 -0.769285D+00 -0.821401D+01 -0.456842D+01
      2   0.631110D+01  0.962085D+00 -0.524802D+00  0.163413D+01  0.165899D+01
      3  -0.265218D+01 -0.619439D+01  0.109921D+02 -0.140462D+02  0.320089D+00
                16            17            18            19            20 
      1  -0.177148D+01  0.303270D+01 -0.231383D+01  0.698690D+00  0.173605D+00
      2  -0.455322D+01  0.660501D+01  0.173264D+01  0.258256D+02 -0.328055D+01
      3  -0.130948D+02  0.675167D+00 -0.301055D+01 -0.479309D+02  0.132638D+02
                21            22            23            24            25 
      1   0.448061D+01  0.237164D+01 -0.407066D+01 -0.363331D+01  0.911185D+01
      2  -0.411725D+01 -0.819478D+01  0.488594D+01  0.290632D+01 -0.248391D+02
      3   0.303096D+01  0.248415D+02 -0.725257D+01 -0.360827D+01  0.120502D+02
                26            27            28            29            30 
      1   0.916005D+00 -0.375910D+01  0.476199D+00  0.819061D+00 -0.355406D+01
      2   0.329274D+01  0.871458D+01 -0.255691D+02  0.378636D+01  0.759043D+01
      3  -0.421114D+01 -0.103721D+02  0.432954D+02 -0.176324D+02 -0.600704D+01
                31            32            33            34            35 
      1   0.169106D+01  0.699574D+00  0.185508D+01 -0.739688D+01  0.103200D+02
      2   0.119979D+02 -0.349572D+01 -0.379929D+01  0.308158D+01 -0.286101D+01
      3  -0.186261D+02  0.797418D+01 -0.108224D+01 -0.151379D+02  0.189809D+01
                36            37            38            39            40 
      1   0.388284D+01 -0.659212D+00  0.195787D+00  0.112697D+01  0.841709D+00
      2  -0.619531D+01 -0.267778D+01  0.241224D+01 -0.897623D+01  0.348193D+01
      3   0.821760D+01 -0.236172D+02  0.109148D+01 -0.154725D+01  0.130537D+02
                41            42            43            44            45 
      1   0.311207D+01 -0.282069D+01  0.596486D+01  0.450833D+00 -0.510019D+01
      2  -0.566828D+01  0.571172D+01 -0.329832D+02  0.561646D+01  0.208882D+02
      3   0.226528D+02  0.561638D+01 -0.286738D+01  0.708243D+01 -0.114669D+02
                46            47            48            49            50 
      1   0.341789D+01  0.365471D+00 -0.437548D+01  0.197646D+01 -0.216496D+01
      2   0.677310D+01 -0.168951D+01 -0.409507D+01 -0.150388D+01 -0.421357D+00
      3  -0.101888D+02 -0.616150D+01 -0.497362D+01  0.965153D+01 -0.408230D+01
                51            52            53            54            55 
      1   0.261772D+01 -0.116959D+02  0.121587D+02 -0.217244D+01 -0.214506D+01
      2   0.495733D+01 -0.145123D+02  0.806786D+01 -0.260044D+01 -0.326563D+01
      3   0.267053D+01 -0.706164D+01  0.805153D+01 -0.285262D+01  0.983296D+01
                56            57            58            59            60 
      1  -0.890634D+00  0.251550D+01  0.332027D+00 -0.694388D+01 -0.522892D+01
      2  -0.470203D+00  0.135403D+01 -0.260187D+01  0.132272D+01 -0.680535D+00
      3   0.612896D+01  0.469541D+01  0.118782D+02 -0.546457D+01  0.440178D+00
                61            62            63            64            65 
      1   0.296902D+01  0.272405D+01  0.123759D+02 -0.306949D+00  0.274725D+01
      2  -0.179000D+01 -0.114638D+01  0.281515D+01  0.275404D+02 -0.228871D+01
      3   0.461622D+01 -0.117730D+00 -0.115823D+01 -0.765950D+01 -0.105032D+02
                66            67            68            69            70 
      1   0.209303D+01 -0.481740D+01  0.237751D+01 -0.397996D+01 -0.198449D+01
      2   0.122317D+02  0.631516D+01  0.406136D+01  0.368525D+01  0.971495D+01
      3  -0.254260D+00 -0.149541D+02  0.895366D+01 -0.279337D+01 -0.982772D+01
                71            72            73            74            75 
      1   0.528959D+01 -0.223193D-01 -0.151754D+01 -0.441423D+00  0.138546D+01
      2   0.434935D+01 -0.101277D+01  0.503920D+01 -0.984033D+00  0.102498D+01
      3  -0.173841D+01 -0.610697D+01 -0.412509D+01 -0.112600D+01  0.100822D+01
                76            77            78            79            80 
      1   0.339453D+00  0.147526D+00 -0.785076D+00  0.197319D+01  0.361879D+01
      2  -0.388090D+01 -0.798351D+00 -0.144993D+01 -0.322277D+01 -0.970070D+00
      3   0.721723D+01 -0.537542D+00  0.369537D+00  0.150115D+01  0.182242D+01
                81            82            83            84            85 
      1  -0.239528D+01  0.540670D+00  0.257673D-01 -0.182633D+01  0.462631D+00
      2  -0.239839D+01  0.208130D+01 -0.855010D+00  0.231733D+01 -0.311853D+00
      3  -0.829757D+00  0.128690D+01 -0.208575D+01  0.159967D+00  0.367354D+01
                86            87            88            89            90 
      1  -0.123298D+01 -0.293752D+01 -0.897186D+00  0.758399D+00  0.279854D+01
      2  -0.115634D+01  0.129454D+01 -0.210190D+01  0.490612D-01 -0.212496D+01
      3  -0.396753D+01  0.119089D+01 -0.602820D+00  0.202722D+01  0.390677D-01
                91            92            93            94            95 
      1  -0.776727D+00  0.125144D+01 -0.418807D+00  0.108201D+01  0.618209D+01
      2   0.382121D+00 -0.127718D+01 -0.920569D-01 -0.174646D+01 -0.657027D+00
      3  -0.374105D+00 -0.240165D+00  0.975061D+00  0.468806D+01 -0.750436D+01
                96            97            98            99           100 
      1  -0.426199D+01 -0.382481D+01  0.118043D+01  0.964092D+00 -0.680857D+00
      2   0.149368D+01 -0.235099D+01  0.291864D-01 -0.866012D+00  0.125589D+01
      3  -0.993080D+00  0.584180D+01 -0.984275D+00  0.530616D+00 -0.257051D+01
               101           102           103           104           105 
      1  -0.472271D+00 -0.146041D+00 -0.515502D+00 -0.214481D+01 -0.414770D+01
      2   0.344388D+00  0.146357D+01  0.175936D+00  0.166916D+01  0.435247D+01
      3  -0.225325D+01  0.349531D+00 -0.451118D+01 -0.269948D+02 -0.191231D+01
               106           107           108           109           110 
      1  -0.188959D+00 -0.164850D+00 -0.521510D+00 -0.311807D+00  0.877877D+00
      2   0.139397D+01  0.232391D+01  0.153000D-01  0.825714D+01 -0.219886D+01
      3  -0.203921D+00 -0.340580D+01 -0.179890D+01  0.151938D+02 -0.803300D+01
               111           112           113           114           115 
      1  -0.102179D+01  0.250235D+00 -0.974776D+00 -0.165627D+00 -0.131192D+01
      2   0.928293D+01 -0.340490D+01  0.312384D+01 -0.430771D+01  0.112175D+02
      3   0.429827D+01 -0.846035D+01  0.447341D+01 -0.375098D+01  0.661810D+01
               116           117           118           119           120 
      1   0.158608D+01 -0.699935D+00  0.213493D+01 -0.669810D+00 -0.177897D+01
      2  -0.296437D+01  0.492944D+01 -0.654121D+01 -0.637947D+00  0.805454D+01
      3  -0.603732D+01  0.545321D+01  0.622867D+01 -0.223522D+01 -0.206051D+01
               121           122           123           124           125 
      1  -0.875917D+00  0.103357D+01  0.493900D+00 -0.340030D+01  0.333627D+01
      2   0.195875D+01 -0.269834D+01 -0.394022D+01  0.171301D+02 -0.141030D+01
      3  -0.274529D+01  0.177911D+00  0.298213D+01 -0.418008D+01  0.482099D+01
               126           127           128           129           130 
      1   0.693794D+01 -0.446672D+01  0.102780D+01  0.390803D+01  0.103889D+01
      2  -0.280331D+02 -0.494146D+01  0.297250D+01  0.591065D+01  0.184282D+01
      3   0.643249D+01 -0.373462D+01 -0.456969D+01  0.146567D+01  0.822488D+00
               131           132           133           134           135 
      1  -0.138654D+01 -0.301047D+01  0.500279D+01 -0.148450D+01 -0.449484D+01
      2  -0.264915D+01 -0.344633D+01  0.413615D+01 -0.479495D+01 -0.651223D+01
      3   0.878863D+00  0.838865D+00  0.507326D+01  0.229074D+01  0.190573D+00
               136           137           138           139           140 
      1   0.170743D+01 -0.103453D+01  0.224345D+01 -0.119815D+01  0.210624D+01
      2   0.127259D+01 -0.666401D+00  0.367354D+01 -0.344839D+00  0.314634D+01
      3   0.128578D+01 -0.166943D+01  0.309483D+00 -0.512098D+00  0.681782D+01
               141           142           143           144           145 
      1  -0.472990D+01  0.603881D+01 -0.426322D+01  0.804811D+01 -0.272700D+01
      2  -0.401732D+01  0.403794D+01 -0.592167D+01  0.900062D+01 -0.845283D+00
      3  -0.294197D+01  0.458656D+00 -0.936177D+01  0.316669D+01 -0.126199D+00
               146           147           148           149           150 
      1   0.138361D+01 -0.199041D+01  0.195331D+01 -0.283176D+01  0.241481D+01
      2   0.699638D+00 -0.240189D+00  0.230813D+01 -0.218594D+01  0.119502D+01
      3  -0.275627D+01  0.163062D+01 -0.196348D+01  0.975047D+00  0.599370D-01
               151           152           153           154           155 
      1  -0.222895D+01  0.230647D+01 -0.156456D+02  0.921788D+00  0.373924D+00
      2  -0.433800D+01  0.168142D+00 -0.363189D+01  0.647454D+00 -0.565233D+00
      3   0.445907D+01 -0.641083D+00  0.124430D+01  0.790886D+00  0.123905D+01
               156           157           158           159           160 
      1  -0.601184D+00 -0.106835D+00  0.453630D+01 -0.473556D+01 -0.617432D+00
      2   0.970045D+00 -0.132305D+01 -0.850047D+00 -0.291520D+00 -0.585364D+00
      3  -0.802622D+00  0.739737D+01  0.534984D+01  0.249911D+00 -0.138099D+01
               161           162           163           164           165 
      1  -0.154272D+01 -0.297974D+00 -0.146141D+01 -0.717571D+01 -0.262395D+01
      2  -0.363751D+00 -0.530723D+00 -0.166859D+02 -0.258002D+01  0.687775D+01
      3  -0.718064D+00  0.110846D+01 -0.391920D+01  0.352245D+01  0.410694D+01
               166           167           168           169           170 
      1  -0.107887D+02  0.869002D+01 -0.122245D+02 -0.364334D+01 -0.527589D+01
      2  -0.401111D+01  0.156943D+01 -0.412779D+01 -0.662176D-01 -0.350365D+01
      3   0.105763D+02 -0.697652D+01  0.626844D+01  0.507683D+01  0.443751D+01
               171           172           173           174           175 
      1  -0.646158D+01 -0.114329D+01  0.102389D+01 -0.478159D+00  0.270250D+01
      2   0.193111D+01 -0.145323D+02 -0.377690D+01 -0.618268D+01 -0.530934D+01
      3   0.698575D+01  0.484589D+01  0.138753D+02  0.482849D+01  0.282865D+02
               176           177           178           179           180 
      1  -0.272148D+01 -0.254549D+01 -0.379427D+00  0.108716D+01  0.321600D+01
      2  -0.453413D+01 -0.114385D+02 -0.163726D+02 -0.109581D+02  0.168181D+02
      3  -0.170697D+02  0.121994D+01  0.720525D+01  0.223693D+01  0.116621D+02
               181           182           183           184           185 
      1   0.311361D+00 -0.266855D+01 -0.112153D+01 -0.161400D+01  0.629474D+00
      2   0.195151D+02  0.896040D+00 -0.403773D+01  0.798844D+00  0.204586D+01
      3   0.643502D+01 -0.378574D+00 -0.155420D+01  0.225786D+01  0.723265D+00
               186           187           188           189           190 
      1  -0.181972D+00 -0.819861D+00  0.192485D+01  0.105035D+01  0.380825D+01
      2  -0.444148D+00 -0.619558D+01 -0.481472D+00  0.351956D+01  0.650510D+00
      3  -0.734908D+00 -0.142644D+01  0.623094D-01  0.804977D+00 -0.287579D+01
               191           192           193           194           195 
      1   0.432120D+01  0.353504D+01  0.459945D+01  0.539989D+01  0.518117D+01
      2  -0.294648D+00  0.319373D+01 -0.105654D+01  0.137746D+01  0.478174D+01
      3  -0.399877D+01 -0.315309D+01 -0.300890D+01 -0.407074D+01 -0.463350D+01
               196           197           198           199           200 
      1   0.430122D+01  0.616911D+01  0.722061D+01 -0.225061D+01  0.439484D+01
      2  -0.213460D+01  0.129272D+01  0.599503D+01 -0.383066D+00  0.110916D+01
      3  -0.206154D+01 -0.398419D+01 -0.474165D+01  0.155774D+01 -0.416240D+01
               201           202           203           204           205 
      1   0.965146D+00  0.556329D+01 -0.128201D+02  0.567854D+00 -0.945697D-02
      2   0.192068D+01  0.326191D+01  0.641094D+00 -0.335397D+01 -0.674661D+00
      3   0.794340D+00 -0.838345D+00  0.115442D+02 -0.427831D+01 -0.412072D+00
               206           207           208           209           210 
      1   0.242438D+01 -0.803715D+00 -0.604799D+00 -0.438586D+00  0.356400D+00
      2  -0.634645D+00  0.596122D+00 -0.305055D+01 -0.980020D-03  0.362902D+01
      3  -0.130332D+01  0.797923D+00 -0.171277D+01 -0.208236D+01  0.734539D+00
               211           212           213           214           215 
      1  -0.444257D+00 -0.108533D+01  0.195153D+00  0.743413D+00  0.401464D+01
      2  -0.261706D+00 -0.259140D+01  0.678950D+01  0.382028D+01  0.538873D+01
      3  -0.234264D+01 -0.182808D+01  0.363018D+01  0.107477D+01  0.541077D+01
               216           217           218           219           220 
      1  -0.261485D+01  0.941044D+00 -0.998221D+00  0.854156D+00 -0.120827D+01
      2  -0.232266D+02  0.208847D+01 -0.499436D+00  0.301336D+01 -0.361368D+00
      3  -0.639944D+01  0.583815D+01 -0.871362D+01 -0.694322D+00 -0.119095D+02
               221           222           223           224           225 
      1   0.327080D+01 -0.324618D+01  0.291880D+00  0.456382D+00  0.988092D-01
      2   0.175070D+01 -0.458886D+01  0.239593D+01 -0.151920D+01 -0.768315D+00
      3   0.251105D+02  0.280753D+00 -0.121091D+01 -0.626284D+00  0.135776D+01
               226           227           228           229           230 
      1   0.855936D-01  0.769748D-01 -0.643465D+00 -0.299419D+00  0.161495D+00
      2   0.103216D+02  0.370892D+01  0.871411D+01  0.593479D+01  0.476187D+01
      3  -0.937679D+01 -0.893942D+01 -0.361256D+01 -0.104375D+02 -0.734497D+01
               231           232           233           234 
      1  -0.140756D+01  0.200846D+00  0.102792D+01 -0.670476D+00
      2   0.730749D+01  0.862876D+01  0.474261D+01  0.776660D+01
      3  -0.393727D+01 -0.604140D+01 -0.651456D+01 -0.511203D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216871D+01  0.100735D+01 -0.733586D+01  0.427557D+01 -0.373462D+01
      2   0.100156D+02 -0.266866D+01 -0.141171D+01 -0.224043D+01  0.600560D+01
      3  -0.121843D+02  0.166131D+01  0.874757D+01 -0.203514D+01 -0.227098D+01
      4   0.140053D+02  0.245379D+01 -0.229700D+01 -0.212198D+01 -0.956338D+00
      5   0.894408D+00 -0.366106D+01 -0.106720D+02  0.249668D+01 -0.175744D+01
      6  -0.509880D+00 -0.156706D+01  0.134923D+01  0.307166D+00  0.808371D+01
                 6             7             8             9            10 
      1   0.524152D+01 -0.239588D+02  0.531942D+00  0.875129D+01 -0.774997D+01
      2   0.698706D-01  0.116213D+01  0.361717D+01  0.744605D+01  0.523088D+01
      3  -0.531139D+01  0.227967D+02 -0.414911D+01 -0.161973D+02  0.251909D+01
      4  -0.148280D+01 -0.605133D+01  0.408364D+01  0.757428D+01  0.473665D+01
      5   0.225015D+01 -0.149410D+02  0.542850D+01  0.126687D+02  0.595459D-01
      6  -0.169494D+01  0.838240D+01 -0.178963D+01 -0.942012D+01  0.410976D+01
                11            12            13            14            15 
      1   0.755328D+01 -0.519776D+01  0.748875D+01 -0.112306D+02 -0.122946D+01
      2   0.551932D+00  0.550882D+01 -0.275219D+01  0.128981D+02  0.387779D+01
      3  -0.810521D+01 -0.311056D+00 -0.473655D+01 -0.166749D+01 -0.264834D+01
      4  -0.524094D+01  0.813598D+01 -0.780565D+01  0.200474D+01  0.725673D+01
      5   0.785233D+01 -0.491313D+01  0.170698D+01  0.474883D+01 -0.342795D+01
      6   0.466582D+01 -0.541011D+01  0.700764D+01  0.404830D+01 -0.379317D+01
                16            17            18            19            20 
      1  -0.817729D+01  0.728902D+01 -0.236301D+01 -0.517318D+02  0.148453D+02
      2   0.648423D+01 -0.200092D+01  0.142872D+01  0.199581D+02 -0.113665D+02
      3   0.169306D+01 -0.528810D+01  0.934287D+00  0.317737D+02 -0.347885D+01
      4   0.127263D+02  0.570674D+01 -0.391562D+01 -0.134132D+02 -0.827034D+01
      5  -0.554817D+01 -0.305883D+01  0.423804D+01 -0.149268D+01  0.146058D+01
      6  -0.554760D+01 -0.583442D+01  0.749868D+01  0.540404D+01 -0.152365D+01
                21            22            23            24            25 
      1   0.467928D+01  0.294135D+02  0.357337D+01 -0.388854D+01  0.185872D+02
      2   0.413115D-01 -0.233859D+02 -0.191530D+02 -0.345897D+01 -0.704489D+00
      3  -0.472059D+01 -0.602765D+01  0.155796D+02  0.734752D+01 -0.178827D+02
      4   0.181902D+01 -0.128994D+01 -0.111656D+02 -0.111702D+01  0.329220D+01
      5  -0.327953D+01 -0.519345D+01 -0.237431D+01  0.369700D+01  0.251514D+01
      6  -0.569524D+01 -0.563815D+01 -0.763791D+01  0.676905D+01 -0.118471D+02
                26            27            28            29            30 
      1  -0.405045D+01 -0.246256D+02  0.680074D+02 -0.257118D+02 -0.148017D+02
      2  -0.545096D+01  0.369355D+00 -0.358510D+02  0.127655D+02  0.316735D+01
      3   0.950141D+01  0.242562D+02 -0.321564D+02  0.129463D+02  0.116343D+02
      4   0.473713D+01  0.268341D+01  0.682342D+00  0.566869D+01  0.185667D+01
      5   0.404482D+01  0.105981D+02 -0.147656D+01  0.391008D+01  0.122145D+02
      6   0.134279D+02  0.130380D+02 -0.468461D+01  0.745344D+01  0.604263D+01
                31            32            33            34            35 
      1  -0.261617D+02  0.958510D+01  0.359298D+01 -0.147260D+02  0.593171D+01
      2   0.108763D+02  0.473371D+01  0.138075D+01  0.470368D+01 -0.214780D+01
      3   0.152855D+02 -0.143188D+02 -0.497373D+01  0.100223D+02 -0.378391D+01
      4   0.136670D+02  0.247161D+01 -0.292947D+00  0.142613D+01  0.125673D+01
      5  -0.960558D+00  0.302311D+01 -0.601156D+01  0.243770D+02 -0.481451D+01
      6   0.647929D+01 -0.570207D+01 -0.392028D+01  0.597057D+01  0.267367D+01
                36            37            38            39            40 
      1   0.112790D+02 -0.599458D+02  0.241519D+02 -0.106507D+02  0.335463D+02
      2  -0.116263D+02  0.373626D+02 -0.133110D+02  0.286986D+01 -0.245031D+02
      3   0.347240D+00  0.225832D+02 -0.108408D+02  0.778079D+01 -0.904317D+01
      4  -0.618118D+00  0.129576D+02  0.337170D+01  0.374775D+01 -0.519050D+01
      5  -0.494645D+01 -0.139018D+02  0.391261D+01 -0.208991D+02  0.530504D+01
      6  -0.655429D+01  0.753821D+00 -0.112753D+00 -0.258471D+01 -0.103016D+01
                41            42            43            44            45 
      1   0.727350D+01  0.762920D+01 -0.183528D+02  0.721591D+01 -0.289802D+02
      2  -0.207028D+02 -0.501470D+01  0.103839D+01 -0.619751D+01  0.270119D+02
      3   0.134293D+02 -0.261451D+01  0.173144D+02 -0.101841D+01  0.196829D+01
      4  -0.384332D+02 -0.841233D+01  0.279393D+01 -0.968743D+01  0.367386D+01
      5  -0.105361D+02  0.111526D+02 -0.508786D+02  0.106084D+02  0.360498D+02
      6  -0.263706D+01  0.276715D+01 -0.737270D+01  0.201844D+01  0.718678D+01
                46            47            48            49            50 
      1   0.842853D+01  0.744185D+01  0.884909D+01  0.684459D+01 -0.125827D+02
      2  -0.559223D+01 -0.343527D+01 -0.405313D+01 -0.829114D+00  0.923810D+01
      3  -0.283631D+01 -0.400658D+01 -0.479596D+01 -0.601547D+01  0.334460D+01
      4   0.147682D+02 -0.148964D+02 -0.704893D+01 -0.250958D+02  0.640275D+01
      5   0.111803D+02 -0.503589D+01 -0.133306D+02  0.111797D+01 -0.394927D+01
      6  -0.924327D+01 -0.305265D+01  0.103702D+02 -0.571131D+01  0.951568D+01
                51            52            53            54            55 
      1  -0.971407D+00  0.827671D+01 -0.491531D+01 -0.591692D+01 -0.116078D+02
      2   0.231993D+01 -0.448507D+01  0.455721D+01  0.578765D+00  0.902522D+01
      3  -0.134853D+01 -0.379164D+01  0.358095D+00  0.533815D+01  0.258258D+01
      4  -0.189877D+01 -0.857005D+00 -0.989227D+01  0.226755D+02  0.930870D+00
      5   0.113188D+02 -0.248717D+02  0.198657D+02 -0.596233D+01 -0.118685D+01
      6  -0.113950D+02  0.203981D+02 -0.223477D+02  0.974194D+01  0.765560D+01
                56            57            58            59            60 
      1   0.218964D+01 -0.998604D+00 -0.239285D+01  0.292725D+02 -0.140471D+01
      2  -0.640653D+01  0.106037D+01 -0.358541D+00 -0.493531D+02 -0.162594D+01
      3   0.421690D+01 -0.617620D-01  0.275139D+01  0.200806D+02  0.303065D+01
      4   0.133687D+00  0.321909D+01  0.674182D+01  0.421196D+01 -0.784770D+00
      5   0.198709D+01 -0.263473D+00 -0.957933D+00 -0.142215D+01 -0.793916D-01
      6   0.825261D-01 -0.211625D+01 -0.525814D+00 -0.344753D+01  0.461711D+01
                61            62            63            64            65 
      1  -0.102468D+01 -0.202255D+01  0.111023D+02  0.339512D+01 -0.349731D+01
      2   0.816868D+00  0.623121D+01  0.701128D+01 -0.839514D+01  0.146411D+00
      3   0.207812D+00 -0.420866D+01 -0.181136D+02  0.500003D+01  0.335090D+01
      4  -0.427024D+00  0.593291D+00 -0.518279D+01 -0.781397D+01  0.828352D+01
      5   0.461809D+01 -0.185470D+01  0.663663D+00  0.183220D+02 -0.150565D+01
      6  -0.362277D+01  0.368482D+01 -0.165405D+02 -0.481523D+01  0.317734D+01
                66            67            68            69            70 
      1   0.170394D+02 -0.470427D+01  0.154000D+02 -0.123419D+01  0.238703D+02
      2  -0.106547D+02  0.759875D+00 -0.625723D+01 -0.113994D+01 -0.140114D+02
      3  -0.638471D+01  0.394440D+01 -0.914273D+01  0.237413D+01 -0.985889D+01
      4  -0.352752D+01  0.194569D+02 -0.162323D+02  0.330658D+01 -0.510481D+01
      5   0.103382D+02 -0.390070D-01  0.496682D+01  0.522545D+01  0.174883D+02
      6   0.831440D+00  0.479725D+00 -0.425112D+01  0.194022D+01 -0.281174D+01
                71            72            73            74            75 
      1  -0.173162D+01  0.558857D+01 -0.150060D+01 -0.445169D-01  0.409291D+01
      2  -0.135136D+01 -0.770790D+01 -0.541765D+01  0.145080D+01  0.424719D+01
      3   0.308298D+01  0.211933D+01  0.691825D+01 -0.140628D+01 -0.834010D+01
      4   0.194646D+01  0.352917D+01 -0.629296D+01  0.483170D+01  0.382082D+01
      5   0.489764D+01 -0.647679D+01 -0.825941D+01  0.355243D+01  0.129604D+02
      6   0.293878D+01  0.205128D+01  0.448867D+01 -0.239595D+01 -0.402587D+01
                76            77            78            79            80 
      1   0.416300D+01 -0.675435D+01 -0.716840D+01  0.591830D+01 -0.740119D+01
      2  -0.737329D+00  0.136273D+01 -0.470150D+00  0.600917D+01 -0.241756D+01
      3  -0.342567D+01  0.539162D+01  0.763855D+01 -0.119275D+02  0.981875D+01
      4   0.428195D+01 -0.196336D+01 -0.388386D+01  0.506314D+01 -0.419153D+01
      5   0.374900D+01 -0.392070D+01 -0.464959D+01  0.139959D+02 -0.615218D+01
      6  -0.266880D+01  0.567736D+01  0.100846D+02 -0.452129D+01  0.101970D+02
                81            82            83            84            85 
      1  -0.259723D+02  0.593664D+01 -0.154205D+01  0.801233D+00 -0.106662D+01
      2  -0.145040D+02 -0.192503D+01  0.278036D+01 -0.451241D+00  0.297252D+01
      3   0.404762D+02 -0.401161D+01 -0.123831D+01 -0.349992D+00 -0.190589D+01
      4  -0.760898D+01  0.110940D+02  0.124619D+02 -0.827908D+01  0.111231D+02
      5  -0.194335D+02 -0.701341D+01 -0.679546D+01  0.879367D+01 -0.562816D+01
      6   0.166774D+02 -0.769851D+01 -0.688407D+01  0.678793D+01 -0.708613D+01
                86            87            88            89            90 
      1  -0.107573D+02  0.503553D+01  0.779962D-01  0.490502D+01 -0.658223D+01
      2   0.138063D+02 -0.494887D+01 -0.593497D-01 -0.460303D+01  0.358059D+00
      3  -0.304908D+01 -0.866551D-01 -0.186465D-01 -0.301991D+00  0.622417D+01
      4   0.160996D+02 -0.941634D+01 -0.882710D+01 -0.100013D+02  0.992222D+01
      5  -0.757113D+01  0.603416D+01  0.780099D+01  0.733345D+01 -0.931385D+01
      6  -0.149490D+02  0.130069D+02  0.766456D+01  0.134760D+02 -0.135880D+02
                91            92            93            94            95 
      1  -0.256384D+01  0.519944D+00  0.190392D+01  0.142893D+01 -0.326813D+02
      2   0.398544D+01  0.327353D+01 -0.646023D+00  0.227744D+01  0.477589D+02
      3  -0.142160D+01 -0.379347D+01 -0.125790D+01 -0.370637D+01 -0.150777D+02
      4   0.286052D+01  0.100354D+02  0.127480D+01  0.910006D+01  0.198357D+02
      5   0.112562D+01  0.166494D+01  0.166650D+01  0.227424D+01  0.515177D+01
      6   0.368117D+01  0.870726D-02 -0.124684D-01  0.126314D+01  0.159492D+02
                96            97            98            99           100 
      1  -0.680081D+01  0.362789D+01 -0.378894D+01 -0.797662D+00  0.454667D+01
      2   0.657058D+01 -0.337867D+01  0.429518D+01  0.270448D+01  0.455716D+00
      3   0.230235D+00 -0.249227D+00 -0.506239D+00 -0.190682D+01 -0.500238D+01
      4   0.327668D+01  0.140230D+01 -0.194429D+00  0.845052D+00  0.565164D+01
      5   0.323535D+01  0.234295D+01  0.106050D+01 -0.436764D+00  0.235103D+01
      6   0.946157D+01  0.329874D+01  0.460075D+01  0.134050D+01  0.716748D+00
               101           102           103           104           105 
      1   0.516906D+01  0.239372D+01  0.106561D+02 -0.682734D+01 -0.855118D+00
      2  -0.168347D+01 -0.967913D+00  0.368858D+01  0.308107D+02  0.187425D+01
      3  -0.348558D+01 -0.142580D+01 -0.143446D+02 -0.239834D+02 -0.101914D+01
      4   0.880173D+01  0.788479D+00  0.271942D+02  0.561007D+02  0.361090D+01
      5   0.150863D+00  0.299468D+01  0.745979D+00  0.459699D+01  0.824066D+01
      6   0.129614D+00  0.230840D+00  0.435750D+00  0.121236D+00  0.677226D+01
               106           107           108           109           110 
      1   0.473762D+01 -0.975728D+00  0.348790D+00  0.845617D+02 -0.121901D+02
      2  -0.101887D+01  0.280758D+01  0.390542D+00 -0.460558D+02  0.798234D+01
      3  -0.371875D+01 -0.183185D+01 -0.739333D+00 -0.385059D+02  0.420777D+01
      4   0.358109D+01  0.740776D+01  0.544714D+01 -0.121652D+01  0.106523D+02
      5   0.676718D+01  0.525386D+01  0.192474D+00  0.258808D+02 -0.501673D+01
      6   0.222111D+01  0.635407D+01  0.151022D+01  0.992056D+00 -0.293517D+00
               111           112           113           114           115 
      1   0.188278D+02 -0.355381D+02  0.101252D+02 -0.593484D+01  0.403118D+02
      2  -0.108157D+02  0.202389D+02 -0.419985D+01  0.415297D+01 -0.222844D+02
      3  -0.801208D+01  0.152992D+02 -0.592535D+01  0.178187D+01 -0.180273D+02
      4  -0.252151D+01  0.108961D+02 -0.594643D+01  0.601672D+01 -0.115592D+01
      5   0.181675D+02 -0.931086D+01  0.724113D+01 -0.829522D+01  0.311483D+02
      6   0.219948D+01  0.148484D+01 -0.395143D+00  0.623978D+00  0.263516D+01
               116           117           118           119           120 
      1  -0.562068D+01  0.184314D+02  0.268091D+02 -0.235869D+01 -0.107026D+02
      2   0.476186D+01 -0.146520D+02 -0.182762D+02  0.170827D+01  0.859175D+01
      3   0.858818D+00 -0.377940D+01 -0.853294D+01  0.650421D+00  0.211089D+01
      4   0.869761D+01 -0.271967D+01  0.346447D+01  0.347768D+01 -0.241832D+01
      5  -0.619433D+01  0.125193D+02 -0.149230D+02 -0.370290D+00  0.191951D+02
      6   0.120465D+01  0.611000D-01 -0.294745D+01 -0.728092D+00  0.324645D+01
               121           122           123           124           125 
      1  -0.133935D+02  0.118757D+01  0.227183D+01 -0.247109D+02 -0.167951D+01
      2   0.982737D+01 -0.325722D+00 -0.382627D+01  0.224072D+02 -0.111104D+01
      3   0.356612D+01 -0.861852D+00  0.155445D+01  0.230373D+01  0.279055D+01
      4   0.556679D+01  0.145035D+01 -0.551590D+01 -0.898874D+01 -0.946545D+01
      5   0.449619D+01 -0.556270D+01 -0.715423D+01  0.432049D+02 -0.245632D+01
      6  -0.165516D+01  0.299182D-01  0.295887D+01  0.761891D+01  0.423505D+01
               126           127           128           129           130 
      1   0.151790D+02  0.214985D+02 -0.634979D+01 -0.908313D+01 -0.458084D+01
      2  -0.258822D+02 -0.885217D+01 -0.190584D+00  0.458850D+01 -0.189475D+01
      3   0.107033D+02 -0.126464D+02  0.654037D+01  0.449463D+01  0.647558D+01
      4   0.181772D+01 -0.227322D+02  0.174860D+02  0.976606D+01  0.153852D+02
      5  -0.546728D+02 -0.170245D+02  0.687625D+01  0.130619D+02  0.546998D+01
      6  -0.113567D+02  0.894976D+01 -0.459641D+01 -0.709192D+01 -0.460911D+01
               131           132           133           134           135 
      1   0.125841D+01  0.296647D+00 -0.123305D+02  0.794599D+00  0.350245D+01
      2   0.439564D+01  0.201142D+01  0.696905D+01  0.193003D+01 -0.420548D+01
      3  -0.565405D+01 -0.230806D+01  0.536144D+01 -0.272463D+01  0.703034D+00
      4  -0.136843D+02 -0.739640D+01  0.148319D+02 -0.121761D+02 -0.139029D+02
      5  -0.671162D+01 -0.662650D+01  0.184687D+02 -0.114365D+02 -0.152808D+02
      6   0.583821D+01  0.740022D+01 -0.111491D+02  0.106885D+02  0.928775D+01
               136           137           138           139           140 
      1   0.609875D+01 -0.479547D+01  0.288655D+01 -0.131787D+01 -0.502475D+01
      2  -0.222321D+01  0.791143D+00 -0.201150D+01 -0.284513D+01  0.964344D+01
      3  -0.387554D+01  0.400432D+01 -0.875051D+00  0.416300D+01 -0.461869D+01
      4  -0.132594D+02  0.128043D+02 -0.560706D+01  0.141236D+02 -0.162050D+02
      5   0.739477D+01 -0.469993D+01  0.965070D+01 -0.520124D+01  0.976903D+01
      6  -0.592189D+01  0.443376D+01 -0.541370D+01  0.698811D+01 -0.133522D+02
               141           142           143           144           145 
      1   0.276046D+01  0.463420D+01  0.529872D+01 -0.243263D+01  0.737218D+00
      2  -0.430516D+01 -0.231463D+01 -0.675050D+01 -0.285183D+01 -0.385985D+01
      3   0.154470D+01 -0.231957D+01  0.145178D+01  0.528447D+01  0.312263D+01
      4   0.102185D+02 -0.151337D+02  0.198526D+02 -0.173603D+02  0.257815D+00
      5  -0.839792D+01  0.179242D+02 -0.156859D+02  0.206756D+02  0.130139D+01
      6   0.132178D+02 -0.150762D+02  0.208871D+02 -0.217153D+02  0.421142D+00
               146           147           148           149           150 
      1  -0.104360D+01 -0.763758D+00  0.117996D+00 -0.392139D+01 -0.863586D+00
      2   0.188385D+01 -0.683667D+00  0.152026D+01  0.279717D+01  0.398793D+01
      3  -0.840253D+00  0.144743D+01 -0.163826D+01  0.112423D+01 -0.312435D+01
      4   0.260485D+01  0.150455D+01 -0.221211D-01  0.120021D+00  0.149681D+00
      5  -0.679670D+00  0.575440D+01 -0.613961D+00  0.880122D+00 -0.239452D+00
      6   0.157732D+01  0.131105D+01  0.100989D+01  0.149399D+01  0.229529D+01
               151           152           153           154           155 
      1  -0.654400D+00 -0.733619D+01 -0.193113D+02 -0.128224D+01 -0.326403D+01
      2  -0.149947D+01  0.528481D+01 -0.887462D+01  0.606797D+01  0.480455D+01
      3   0.215387D+01  0.205137D+01  0.281859D+02 -0.478573D+01 -0.154052D+01
      4   0.353481D+01  0.410360D+00  0.244033D+01  0.130610D+00  0.101024D+02
      5   0.393851D+01 -0.629075D+00 -0.693926D+00  0.258350D+00  0.869859D+00
      6   0.117853D+01  0.895654D+01  0.227518D+02 -0.532701D+00  0.465216D+00
               156           157           158           159           160 
      1  -0.433281D+00 -0.157815D+01 -0.471569D+02 -0.276198D+01 -0.370100D-01
      2  -0.624270D-01  0.149226D+01  0.785662D+02  0.296958D+01  0.209372D+00
      3   0.495708D+00  0.858923D-01 -0.314093D+02 -0.207600D+00 -0.172362D+00
      4  -0.183058D+00  0.772812D+01 -0.294634D+01 -0.516295D-01 -0.930993D+00
      5   0.158519D+01  0.330289D+00  0.759485D+00 -0.274745D+00  0.528520D+00
      6   0.864263D+00  0.326796D+00  0.705880D+01  0.810730D+01  0.628784D+00
               161           162           163           164           165 
      1   0.297715D+01 -0.592105D+01  0.210636D+02 -0.216862D+01 -0.588306D+01
      2  -0.564327D+01  0.553180D+01 -0.388594D+01  0.104163D+02  0.880572D+01
      3   0.266613D+01  0.389250D+00 -0.171776D+02 -0.824769D+01 -0.292266D+01
      4   0.846719D+00 -0.766710D-01 -0.533161D+01 -0.101719D+02  0.480007D+00
      5  -0.561284D+00  0.322732D-01 -0.334452D+01 -0.147544D+01 -0.152311D+02
      6   0.905567D+01  0.915605D+00  0.203203D+01 -0.115218D+02 -0.389358D+01
               166           167           168           169           170 
      1  -0.234872D+01 -0.135441D+01 -0.331491D+00 -0.733316D+01  0.111736D+01
      2   0.154233D+02 -0.645349D+01  0.157656D+02  0.105982D+02  0.116558D+02
      3  -0.130746D+02  0.780790D+01 -0.154342D+02 -0.326501D+01 -0.127731D+02
      4  -0.178662D+02  0.238282D+02 -0.132331D+02  0.433438D+00 -0.729114D+01
      5  -0.360681D+01 -0.199109D+02 -0.147732D+02 -0.219400D+02 -0.114163D+02
      6  -0.161495D+02  0.174464D+02 -0.963788D+01 -0.480912D+01 -0.600153D+01
               171           172           173           174           175 
      1  -0.117406D+02 -0.241439D+01 -0.107530D+02 -0.251171D+02 -0.168567D+02
      2   0.908094D+01 -0.276523D+01  0.985285D+01  0.115045D+02  0.167659D+02
      3   0.265969D+01  0.517962D+01  0.900171D+00  0.136126D+02  0.907992D-01
      4  -0.863020D+01 -0.978776D+01 -0.270411D+02 -0.676690D+01 -0.442552D+02
      5  -0.772386D+01 -0.274365D+02 -0.691006D+01 -0.930039D+01 -0.110566D+02
      6  -0.137806D+02  0.200093D+00  0.228987D+01 -0.409081D+00  0.334089D+01
               176           177           178           179           180 
      1  -0.257192D+02 -0.104044D+02 -0.318348D+02 -0.106727D+02 -0.798813D+01
      2   0.405251D+01  0.244796D+01  0.116582D+02  0.196489D+01  0.135150D+02
      3   0.216666D+02  0.795643D+01  0.201766D+02  0.870783D+01 -0.552686D+01
      4   0.361675D+02 -0.287639D+01 -0.111957D+02 -0.466573D+01 -0.191173D+02
      5  -0.122050D+01 -0.186723D+02 -0.157711D+02 -0.185331D+02  0.294753D+02
      6  -0.446622D+01 -0.966725D+00 -0.169947D+01  0.174399D+01  0.148546D+01
               181           182           183           184           185 
      1  -0.138488D+02 -0.223720D+01  0.111457D+02 -0.449497D+00 -0.325112D+01
      2   0.428426D+01 -0.192539D+00  0.139492D+01 -0.155544D+01  0.328964D+01
      3   0.956459D+01  0.242974D+01 -0.125406D+02  0.200494D+01 -0.385129D-01
      4   0.782827D+01  0.113218D+01 -0.832658D+00  0.370775D+01 -0.133382D+01
      5  -0.122675D+02  0.339635D+00  0.248563D+01  0.568133D-01  0.508882D+00
      6  -0.170947D+01 -0.418831D+01  0.535530D+01 -0.122311D+01 -0.222529D+01
               186           187           188           189           190 
      1   0.175033D+01  0.668483D+01  0.156148D+01 -0.635325D+01  0.740272D+01
      2  -0.250879D+01  0.440036D+00 -0.132940D+01 -0.311723D+01 -0.119353D+02
      3   0.758461D+00 -0.712487D+01 -0.232075D+00  0.947048D+01  0.453258D+01
      4   0.885926D+00 -0.125460D+01 -0.595705D+00  0.244394D+01  0.412298D+01
      5   0.241776D+01  0.711401D+01  0.163341D+01 -0.291483D+01  0.190949D+02
      6   0.326767D+01  0.284485D+01  0.302073D+01 -0.155599D+01  0.337319D+01
               191           192           193           194           195 
      1   0.307182D+01  0.279658D+01  0.493158D+01 -0.402505D+00 -0.306545D+01
      2  -0.532037D+01 -0.124663D+02 -0.952687D+01 -0.263783D+01 -0.117687D+02
      3   0.224855D+01  0.966976D+01  0.459528D+01  0.304034D+01  0.148341D+02
      4   0.655702D+01  0.257919D+01  0.807767D+01  0.532163D+01  0.775448D+01
      5   0.553517D+01  0.213377D+02  0.136149D+02  0.107128D+02  0.182092D+02
      6   0.606559D+01  0.311974D+01  0.756590D+01  0.735598D+01  0.100285D+02
               196           197           198           199           200 
      1   0.285673D+01 -0.143275D+01 -0.670048D+01  0.408816D+01 -0.294662D+01
      2  -0.125163D+02 -0.638631D+01 -0.202673D+02 -0.171285D+00 -0.347172D+01
      3   0.965960D+01  0.781906D+01  0.269678D+02 -0.391687D+01  0.641835D+01
      4   0.258392D+01  0.559883D+01  0.570187D+01 -0.116264D+02  0.151160D+02
      5   0.202646D+02  0.813700D+01  0.276126D+02  0.828314D+01 -0.720544D+01
      6   0.398251D+01  0.797879D+01  0.766548D+01 -0.641645D+01  0.934539D+01
               201           202           203           204           205 
      1   0.279687D-01 -0.254840D+01 -0.111026D+02  0.705025D+01 -0.664627D+00
      2  -0.184725D+01 -0.551323D+01  0.234418D+02 -0.480287D+01 -0.175715D+01
      3   0.181929D+01  0.806163D+01 -0.123392D+02 -0.224738D+01  0.242177D+01
      4  -0.496463D+01  0.189623D+02 -0.319901D+02  0.113561D+02 -0.151353D+01
      5   0.895802D+01 -0.959876D+01  0.149596D+02 -0.944995D+01  0.600421D+01
      6  -0.427246D+01  0.120118D+02 -0.283565D+02  0.163702D+02 -0.314808D+01
               206           207           208           209           210 
      1   0.368841D+01 -0.244141D+01  0.490698D+01  0.330161D+01 -0.529164D+01
      2  -0.939172D+00 -0.599943D-01 -0.488260D+01 -0.226525D+01  0.439309D+01
      3  -0.274924D+01  0.250140D+01 -0.243725D-01 -0.103636D+01  0.898557D+00
      4   0.379891D+01 -0.426372D+01  0.318958D+01  0.409833D+01 -0.107071D+01
      5  -0.430425D+01  0.535846D+01 -0.640311D+01 -0.160119D+01  0.107993D+02
      6   0.984811D+01 -0.535414D+01 -0.839254D+00 -0.441311D+00  0.194884D+00
               211           212           213           214           215 
      1   0.748316D+01  0.214950D+01  0.657379D+00 -0.135841D+02  0.132455D+01
      2  -0.543327D+01 -0.107416D+01  0.286556D+01  0.122625D+02  0.221470D+01
      3  -0.204989D+01 -0.107534D+01 -0.352294D+01  0.132154D+01 -0.353925D+01
      4   0.824567D+01  0.231079D+01 -0.664809D+01 -0.168322D+01 -0.915502D+01
      5  -0.468182D+01 -0.642159D+01  0.129875D+02  0.231475D+02  0.979360D+01
      6  -0.172192D+01 -0.218123D+01  0.470632D+01  0.612430D+00  0.492229D+01
               216           217           218           219           220 
      1   0.136689D+01  0.218657D+02 -0.123923D+02  0.133884D+01 -0.259184D+02
      2  -0.184117D+02 -0.647620D+01  0.264316D+01 -0.571506D+00  0.397689D+01
      3   0.170448D+02 -0.153896D+02  0.974911D+01 -0.767331D+00  0.219415D+02
      4   0.100087D+02 -0.179189D+02  0.217555D+02  0.141238D+01  0.401351D+02
      5  -0.465505D+02 -0.424198D+00  0.232228D+01  0.508399D+01  0.615166D+01
      6  -0.162826D+01  0.172995D+01 -0.206695D+01 -0.877848D+00 -0.418718D+01
               221           222           223           224           225 
      1   0.131845D+02  0.221902D+01  0.524686D+01  0.617546D+00  0.285827D+01
      2   0.105635D+02 -0.167571D+01 -0.156502D+01 -0.809147D+00 -0.135352D+01
      3  -0.237480D+02 -0.543304D+00 -0.368184D+01  0.191601D+00 -0.150475D+01
      4  -0.539162D+02 -0.149349D+01  0.178382D+00  0.136719D+01 -0.415653D+01
      5  -0.274156D+01 -0.856188D+01  0.841034D+01 -0.461046D+01 -0.251906D+01
      6   0.665280D+01  0.587429D+01 -0.260581D+01  0.486449D+01  0.418862D-01
               226           227           228           229           230 
      1   0.558973D+02  0.151071D+02  0.157247D+02  0.319743D+02  0.145657D+02
      2  -0.272047D+02 -0.727099D+01 -0.765451D+01 -0.151805D+02 -0.335591D+01
      3  -0.286926D+02 -0.783612D+01 -0.807018D+01 -0.167938D+02 -0.112098D+02
      4   0.175099D+02  0.161802D+02  0.652262D+01  0.253300D+02  0.132453D+02
      5   0.161940D+02  0.593276D+01  0.139722D+02  0.933342D+01  0.678144D+01
      6   0.810712D+00 -0.322076D+00 -0.100219D+00  0.691758D+00  0.173982D+01
               231           232           233           234 
      1   0.746918D+01  0.344346D+02  0.743418D+01  0.122985D+02
      2  -0.286814D+01 -0.172884D+02 -0.312246D+01 -0.933315D+01
      3  -0.460105D+01 -0.171462D+02 -0.431171D+01 -0.296539D+01
      4   0.785785D+01  0.112761D+02  0.110122D+02  0.878961D+01
      5   0.118452D+02  0.199669D+02  0.844864D+01  0.140274D+02
      6   0.226898D+01  0.157218D+01  0.158407D+01  0.165001D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:50:32 2021, MaxMem= 10737418240 cpu:           46659.2 elap:            2919.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30155 -10.29429 -10.28875 -10.28848 -10.28815
 Alpha  occ. eigenvalues --  -10.28770 -10.28610 -10.28105 -10.27892 -10.27761
 Alpha  occ. eigenvalues --   -0.98068  -0.90916  -0.84819  -0.82567  -0.78865
 Alpha  occ. eigenvalues --   -0.77832  -0.72548  -0.67346  -0.62052  -0.58725
 Alpha  occ. eigenvalues --   -0.56689  -0.54856  -0.53476  -0.51608  -0.50889
 Alpha  occ. eigenvalues --   -0.48902  -0.48346  -0.47623  -0.46620  -0.46253
 Alpha  occ. eigenvalues --   -0.44594  -0.43948  -0.42235  -0.40667  -0.39498
 Alpha  occ. eigenvalues --   -0.36041  -0.33956  -0.29686
 Alpha virt. eigenvalues --    0.03578   0.04270   0.04457   0.04717   0.05723
 Alpha virt. eigenvalues --    0.06038   0.06253   0.06455   0.06781   0.08169
 Alpha virt. eigenvalues --    0.08307   0.08643   0.08825   0.09315   0.09743
 Alpha virt. eigenvalues --    0.10152   0.11064   0.12471   0.13177   0.13366
 Alpha virt. eigenvalues --    0.13414   0.14038   0.14366   0.14694   0.14904
 Alpha virt. eigenvalues --    0.15243   0.15537   0.15813   0.15962   0.16842
 Alpha virt. eigenvalues --    0.17352   0.17667   0.17784   0.18187   0.18514
 Alpha virt. eigenvalues --    0.19013   0.19657   0.20421   0.20756   0.20771
 Alpha virt. eigenvalues --    0.21018   0.21293   0.21858   0.22350   0.22543
 Alpha virt. eigenvalues --    0.23139   0.23689   0.23887   0.24828   0.25579
 Alpha virt. eigenvalues --    0.25788   0.26293   0.26536   0.27157   0.27789
 Alpha virt. eigenvalues --    0.28079   0.28628   0.29071   0.29311   0.29794
 Alpha virt. eigenvalues --    0.30397   0.30823   0.31548   0.32133   0.32511
 Alpha virt. eigenvalues --    0.33174   0.33775   0.34796   0.35064   0.36217
 Alpha virt. eigenvalues --    0.36704   0.37159   0.38046   0.38910   0.39245
 Alpha virt. eigenvalues --    0.40229   0.40276   0.41310   0.41382   0.41934
 Alpha virt. eigenvalues --    0.42645   0.42972   0.43371   0.43762   0.43892
 Alpha virt. eigenvalues --    0.44637   0.45228   0.45841   0.45896   0.46599
 Alpha virt. eigenvalues --    0.47047   0.47298   0.47714   0.48818   0.49117
 Alpha virt. eigenvalues --    0.49653   0.50142   0.50860   0.51428   0.52364
 Alpha virt. eigenvalues --    0.52595   0.52813   0.53596   0.53670   0.54596
 Alpha virt. eigenvalues --    0.55476   0.55929   0.56391   0.57243   0.57737
 Alpha virt. eigenvalues --    0.58652   0.58733   0.58929   0.59384   0.60258
 Alpha virt. eigenvalues --    0.61024   0.61107   0.61683   0.62632   0.62879
 Alpha virt. eigenvalues --    0.63654   0.64793   0.65082   0.65564   0.66120
 Alpha virt. eigenvalues --    0.66705   0.67216   0.68678   0.69196   0.69317
 Alpha virt. eigenvalues --    0.69829   0.70417   0.70798   0.71121   0.71314
 Alpha virt. eigenvalues --    0.71907   0.72443   0.73248   0.74335   0.74965
 Alpha virt. eigenvalues --    0.75148   0.75535   0.75972   0.76470   0.76924
 Alpha virt. eigenvalues --    0.77842   0.78466   0.78777   0.78995   0.79727
 Alpha virt. eigenvalues --    0.80020   0.81052   0.81505   0.82473   0.82531
 Alpha virt. eigenvalues --    0.83520   0.84554   0.84740   0.85274   0.86129
 Alpha virt. eigenvalues --    0.87101   0.87471   0.87933   0.88716   0.89435
 Alpha virt. eigenvalues --    0.90448   0.90516   0.91776   0.93755   0.93961
 Alpha virt. eigenvalues --    0.94579   0.96729   0.97307   0.97980   0.99455
 Alpha virt. eigenvalues --    1.00302   1.01179   1.02571   1.04173   1.04428
 Alpha virt. eigenvalues --    1.05196   1.06458   1.07625   1.08291   1.08736
 Alpha virt. eigenvalues --    1.09129   1.10428   1.12353   1.13212   1.13703
 Alpha virt. eigenvalues --    1.15940   1.16319   1.18702   1.20418   1.22031
 Alpha virt. eigenvalues --    1.23379   1.25638   1.26438   1.28351   1.30122
 Alpha virt. eigenvalues --    1.30589   1.32469   1.33693   1.34938   1.36598
 Alpha virt. eigenvalues --    1.38764   1.41071   1.42146   1.43642   1.44614
 Alpha virt. eigenvalues --    1.48942   1.51293   1.51652   1.52319   1.53172
 Alpha virt. eigenvalues --    1.55374   1.55490   1.57505   1.57654   1.57959
 Alpha virt. eigenvalues --    1.58601   1.60286   1.60847   1.63641   1.64671
 Alpha virt. eigenvalues --    1.65657   1.66483   1.67063   1.68469   1.69555
 Alpha virt. eigenvalues --    1.69803   1.70816   1.72366   1.72691   1.73938
 Alpha virt. eigenvalues --    1.75311   1.76717   1.77010   1.77964   1.78605
 Alpha virt. eigenvalues --    1.81169   1.82557   1.83336   1.84579   1.86714
 Alpha virt. eigenvalues --    1.87517   1.89183   1.90125   1.90427   1.91506
 Alpha virt. eigenvalues --    1.93181   1.94265   1.96737   1.97141   1.97922
 Alpha virt. eigenvalues --    1.98367   2.00635   2.01580   2.02517   2.03327
 Alpha virt. eigenvalues --    2.05938   2.06401   2.08050   2.08316   2.10102
 Alpha virt. eigenvalues --    2.10707   2.11256   2.12873   2.13590   2.15102
 Alpha virt. eigenvalues --    2.15748   2.17284   2.18637   2.20101   2.20926
 Alpha virt. eigenvalues --    2.22421   2.24261   2.24997   2.26287   2.27247
 Alpha virt. eigenvalues --    2.28484   2.29387   2.30881   2.32811   2.34563
 Alpha virt. eigenvalues --    2.36516   2.36798   2.38434   2.39475   2.40237
 Alpha virt. eigenvalues --    2.41127   2.42673   2.43700   2.44752   2.46184
 Alpha virt. eigenvalues --    2.47395   2.50104   2.52386   2.52779   2.54068
 Alpha virt. eigenvalues --    2.54169   2.56660   2.60685   2.61350   2.63299
 Alpha virt. eigenvalues --    2.65292   2.67183   2.67676   2.69424   2.70097
 Alpha virt. eigenvalues --    2.72046   2.73076   2.75872   2.76395   2.78001
 Alpha virt. eigenvalues --    2.79491   2.81432   2.84577   2.86042   2.87444
 Alpha virt. eigenvalues --    2.89876   2.91873   2.93788   2.96248   2.98452
 Alpha virt. eigenvalues --    3.03378   3.08191   3.09094   3.16816   3.18002
 Alpha virt. eigenvalues --    3.23245   3.30943   3.69059   3.73830   4.13638
 Alpha virt. eigenvalues --    4.47702
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.145058  -0.782207  -1.696267  -1.364197  -0.876553  -0.991151
     2  C   -0.782207  11.228941  -0.577988  -0.057261   0.038019  -0.082020
     3  C   -1.696267  -0.577988  17.070702  -4.747393  -0.369319  -1.808673
     4  C   -1.364197  -0.057261  -4.747393  11.714607  -0.615705  -0.308680
     5  C   -0.876553   0.038019  -0.369319  -0.615705   6.940670  -0.348806
     6  C   -0.991151  -0.082020  -1.808673  -0.308680  -0.348806   8.981556
     7  C    0.026588  -1.061691  -0.342804  -0.201333   0.054201   0.262345
     8  C   -0.867996  -1.242189  -0.333057   0.106080   0.133805   0.006497
     9  H   -2.242229   0.599959   0.675330   0.207045   0.088925   0.058142
    10  H    0.590911  -1.874772   0.174500   0.109792   0.006832  -0.108875
    11  H    0.229094  -0.106485  -2.472084   0.875258  -0.045002   0.238111
    12  H    0.026391   0.003236  -0.229972   0.734734  -0.479213   0.052921
    13  H   -0.047908  -0.003507   0.007281  -0.220370   0.506198   0.072677
    14  H   -0.009666   0.020405   0.096507  -0.001634   0.493739  -0.231581
    15  H    0.037620   0.126949   0.179789   0.385594  -0.150796  -0.774776
    16  H   -0.096907  -0.160168  -0.009667  -0.051446   0.143290   0.134327
    17  H   -0.088430  -0.299796  -0.049578   0.106585   0.046434  -0.161199
    18  H   -0.021480   0.598292   0.031167  -0.021888  -0.016824   0.161763
    19  C   -0.283345  -0.686803  -0.403300  -0.027072  -0.129842  -0.043736
    20  C   -0.201804  -0.290962  -0.308161   0.103782  -0.004189   0.103240
    21  H   -0.163159  -0.128543   0.019504   0.031250  -0.058258  -0.068579
    22  H    0.232239  -0.290361  -0.053536  -0.002987  -0.004151   0.000264
    23  H   -0.321360   0.253992   0.100329   0.103040   0.014994   0.035503
    24  H   -0.169482  -0.128443  -0.046747  -0.004264  -0.001612   0.000314
    25  H   -0.069748   0.039250   0.071052   0.019998   0.003336   0.002787
    26  H    0.057062  -0.076981  -0.018262  -0.004562  -0.000500   0.007982
               7          8          9         10         11         12
     1  C    0.026588  -0.867996  -2.242229   0.590911   0.229094   0.026391
     2  C   -1.061691  -1.242189   0.599959  -1.874772  -0.106485   0.003236
     3  C   -0.342804  -0.333057   0.675330   0.174500  -2.472084  -0.229972
     4  C   -0.201333   0.106080   0.207045   0.109792   0.875258   0.734734
     5  C    0.054201   0.133805   0.088925   0.006832  -0.045002  -0.479213
     6  C    0.262345   0.006497   0.058142  -0.108875   0.238111   0.052921
     7  C    7.226876  -0.168865  -0.150245   0.172267   0.063339  -0.035656
     8  C   -0.168865   9.507317  -0.050110  -0.040506   0.010734  -0.017932
     9  H   -0.150245  -0.050110   2.993631  -0.178166  -0.141026   0.010278
    10  H    0.172267  -0.040506  -0.178166   3.207886   0.016388  -0.000684
    11  H    0.063339   0.010734  -0.141026   0.016388   3.137620  -0.097155
    12  H   -0.035656  -0.017932   0.010278  -0.000684  -0.097155   1.675302
    13  H    0.009674   0.016221   0.003264   0.001482   0.004251  -0.162585
    14  H    0.026564  -0.020361   0.003332   0.000193   0.005448  -0.207648
    15  H    0.024357  -0.054801   0.007382   0.021609  -0.016655   0.028139
    16  H    0.040439   0.039480   0.007425   0.010779   0.016204  -0.005339
    17  H    0.165624   0.016768  -0.004226   0.086103   0.019599  -0.016327
    18  H   -0.572909  -0.012726   0.009327  -0.244220  -0.003921   0.001062
    19  C   -0.014839  -0.145452  -0.056080  -0.078191   0.070915   0.013082
    20  C   -0.102697  -0.753371  -0.074227  -0.048117   0.056385   0.001009
    21  H   -0.154762   0.040769   0.001828   0.017046  -0.020624   0.020841
    22  H    0.051239   0.085351  -0.004008   0.006918   0.005784  -0.000303
    23  H   -0.035852   0.309434   0.016857  -0.011688   0.012285   0.001521
    24  H    0.057520   0.760983  -0.044815  -0.052171   0.012483  -0.000317
    25  H   -0.015082  -0.096516  -0.006599   0.021210   0.003491   0.000286
    26  H    0.001759  -0.055135   0.019288  -0.010826  -0.002148   0.000080
              13         14         15         16         17         18
     1  C   -0.047908  -0.009666   0.037620  -0.096907  -0.088430  -0.021480
     2  C   -0.003507   0.020405   0.126949  -0.160168  -0.299796   0.598292
     3  C    0.007281   0.096507   0.179789  -0.009667  -0.049578   0.031167
     4  C   -0.220370  -0.001634   0.385594  -0.051446   0.106585  -0.021888
     5  C    0.506198   0.493739  -0.150796   0.143290   0.046434  -0.016824
     6  C    0.072677  -0.231581  -0.774776   0.134327  -0.161199   0.161763
     7  C    0.009674   0.026564   0.024357   0.040439   0.165624  -0.572909
     8  C    0.016221  -0.020361  -0.054801   0.039480   0.016768  -0.012726
     9  H    0.003264   0.003332   0.007382   0.007425  -0.004226   0.009327
    10  H    0.001482   0.000193   0.021609   0.010779   0.086103  -0.244220
    11  H    0.004251   0.005448  -0.016655   0.016204   0.019599  -0.003921
    12  H   -0.162585  -0.207648   0.028139  -0.005339  -0.016327   0.001062
    13  H    1.078908  -0.195706  -0.005613  -0.009551   0.009392  -0.001414
    14  H   -0.195706   1.058942  -0.019588   0.013778   0.013064  -0.001721
    15  H   -0.005613  -0.019588   2.027338  -0.351867  -0.174424   0.033398
    16  H   -0.009551   0.013778  -0.351867   1.537333   0.149629  -0.183323
    17  H    0.009392   0.013064  -0.174424   0.149629   2.158758  -0.508651
    18  H   -0.001414  -0.001721   0.033398  -0.183323  -0.508651   1.938550
    19  C   -0.014308   0.011553   0.014883  -0.024728  -0.106605   0.039713
    20  C    0.001798  -0.004416  -0.004895   0.014939   0.016254   0.021231
    21  H   -0.008703  -0.010836   0.018458  -0.008384   0.045636   0.000073
    22  H   -0.000479   0.001353   0.003083  -0.003661  -0.026376   0.013994
    23  H   -0.000589   0.004507  -0.003146   0.004004   0.006570   0.000960
    24  H   -0.000080   0.000163  -0.002495   0.000969   0.000758   0.005372
    25  H    0.000187  -0.000178   0.000404   0.000485  -0.002257   0.000305
    26  H    0.000040  -0.000297  -0.000058   0.001422   0.010750  -0.002856
              19         20         21         22         23         24
     1  C   -0.283345  -0.201804  -0.163159   0.232239  -0.321360  -0.169482
     2  C   -0.686803  -0.290962  -0.128543  -0.290361   0.253992  -0.128443
     3  C   -0.403300  -0.308161   0.019504  -0.053536   0.100329  -0.046747
     4  C   -0.027072   0.103782   0.031250  -0.002987   0.103040  -0.004264
     5  C   -0.129842  -0.004189  -0.058258  -0.004151   0.014994  -0.001612
     6  C   -0.043736   0.103240  -0.068579   0.000264   0.035503   0.000314
     7  C   -0.014839  -0.102697  -0.154762   0.051239  -0.035852   0.057520
     8  C   -0.145452  -0.753371   0.040769   0.085351   0.309434   0.760983
     9  H   -0.056080  -0.074227   0.001828  -0.004008   0.016857  -0.044815
    10  H   -0.078191  -0.048117   0.017046   0.006918  -0.011688  -0.052171
    11  H    0.070915   0.056385  -0.020624   0.005784   0.012285   0.012483
    12  H    0.013082   0.001009   0.020841  -0.000303   0.001521  -0.000317
    13  H   -0.014308   0.001798  -0.008703  -0.000479  -0.000589  -0.000080
    14  H    0.011553  -0.004416  -0.010836   0.001353   0.004507   0.000163
    15  H    0.014883  -0.004895   0.018458   0.003083  -0.003146  -0.002495
    16  H   -0.024728   0.014939  -0.008384  -0.003661   0.004004   0.000969
    17  H   -0.106605   0.016254   0.045636  -0.026376   0.006570   0.000758
    18  H    0.039713   0.021231   0.000073   0.013994   0.000960   0.005372
    19  C    6.504261  -0.229571   0.421086   0.103240  -0.079897  -0.085811
    20  C   -0.229571   6.244398   0.066447   0.122749  -0.167553  -0.227770
    21  H    0.421086   0.066447   1.969378  -0.341463  -0.471834  -0.033682
    22  H    0.103240   0.122749  -0.341463   1.518473  -0.331905   0.013522
    23  H   -0.079897  -0.167553  -0.471834  -0.331905   1.829444   0.010785
    24  H   -0.085811  -0.227770  -0.033682   0.013522   0.010785   1.949194
    25  H    0.001179   0.324804   0.021955   0.010947  -0.025440  -0.351720
    26  H    0.090327   0.299991   0.013210  -0.023801   0.010862  -0.338470
              25         26
     1  C   -0.069748   0.057062
     2  C    0.039250  -0.076981
     3  C    0.071052  -0.018262
     4  C    0.019998  -0.004562
     5  C    0.003336  -0.000500
     6  C    0.002787   0.007982
     7  C   -0.015082   0.001759
     8  C   -0.096516  -0.055135
     9  H   -0.006599   0.019288
    10  H    0.021210  -0.010826
    11  H    0.003491  -0.002148
    12  H    0.000286   0.000080
    13  H    0.000187   0.000040
    14  H   -0.000178  -0.000297
    15  H    0.000404  -0.000058
    16  H    0.000485   0.001422
    17  H   -0.002257   0.010750
    18  H    0.000305  -0.002856
    19  C    0.001179   0.090327
    20  C    0.324804   0.299991
    21  H    0.021955   0.013210
    22  H    0.010947  -0.023801
    23  H   -0.025440   0.010862
    24  H   -0.351720  -0.338470
    25  H    1.435241  -0.274362
    26  H   -0.274362   1.409795
 Mulliken charges:
               1
     1  C    0.948926
     2  C    0.941135
     3  C    1.040648
     4  C   -0.868973
     5  C    0.630326
     6  C    0.809646
     7  C    0.673944
     8  C   -1.174421
     9  H   -0.750281
    10  H   -0.795700
    11  H   -0.872290
    12  H   -0.315751
    13  H   -0.040558
    14  H   -0.045916
    15  H   -0.349890
    16  H   -0.209459
    17  H   -0.414054
    18  H   -0.263275
    19  C    1.139341
    20  C    1.040708
    21  H   -0.218654
    22  H   -0.086122
    23  H   -0.265820
    24  H   -0.324184
    25  H   -0.115016
    26  H   -0.114311
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.198645
     2  C    0.145434
     3  C    0.168359
     4  C   -0.868973
     5  C    0.228100
     6  C    0.250297
     7  C   -0.003385
     8  C   -1.174421
    19  C    0.568746
    20  C    0.487198
 Electronic spatial extent (au):  <R**2>=           1604.4732
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1557    Y=              0.3103    Z=              0.1029  Tot=              0.3622
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.3844   YY=            -62.5295   ZZ=            -63.9804
   XY=             -0.3066   XZ=             -1.0649   YZ=             -0.0032
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5804   YY=              0.4353   ZZ=             -1.0157
   XY=             -0.3066   XZ=             -1.0649   YZ=             -0.0032
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.4295  YYY=             -0.7345  ZZZ=              0.0429  XYY=             -0.5052
  XXY=              0.6812  XXZ=              0.9606  XZZ=              1.7334  YZZ=              2.0608
  YYZ=             -1.7745  XYZ=             -0.1275
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1494.4256 YYYY=           -444.1804 ZZZZ=           -309.5158 XXXY=             -0.2758
 XXXZ=              3.7187 YYYX=              1.8679 YYYZ=             -1.2631 ZZZX=             -9.2702
 ZZZY=              1.3041 XXYY=           -322.2987 XXZZ=           -296.0412 YYZZ=           -129.3757
 XXYZ=             -0.7515 YYXZ=              0.9874 ZZXY=             -0.7093
 N-N= 5.488148234238D+02 E-N=-2.001597138026D+03  KE= 3.880633233298D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:50:33 2021, MaxMem= 10737418240 cpu:               8.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.4069    1.4068       -2.6034   -2.6011
 2     -1.4069   -1.4068       -0.7053   -0.7050      -16.8542  -16.8437
 3      2.6034    2.6011       22.4827   22.4727        0.7061    0.7050
 4      0.7053    0.7050        0.0000    0.0000        2.6003    2.6011
 5     -5.6285   -5.6289       -2.6003   -2.6011        1.4078    1.4068
 6     -0.7061   -0.7050       -1.4078   -1.4068       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.2205   -4.2205       -7.8033   -7.8033
 2      2.1151    2.1151        0.0000    0.0000       -7.8033   -7.8033
 3      2.1151    2.1151       -4.2205   -4.2205        0.0000    0.0000
 4     -4.2205   -4.2205       -2.1151   -2.1151      -50.5312  -50.5312
 5      7.8033    7.8033       67.4180   67.4180        2.1151    2.1151
 6    -16.8868  -16.8868       -7.8033   -7.8033        4.2205    4.2205
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1186    0.0000       -5.4023   -5.6274        9.8833   10.4043
 2      5.5726    5.6274        2.7957    2.8201       67.7082   67.3749
 3    -10.3893  -10.4043      -89.6023  -89.8907       -2.7928   -2.8201
 4     -2.8198   -2.8201        0.0826    0.0000      -10.5607  -10.4043
 5     22.4969   22.5158       10.5523   10.4043       -5.6420   -5.6274
 6      2.9027    2.8201        5.5855    5.6274       -0.0811    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3818    0.0000      -17.4294  -17.3572      -26.9976  -27.0567
 2     17.6496   17.3572       19.1686   18.9504        2.2448    1.9665
 3     26.6722   27.0567       26.3474   26.0457      -18.9440  -18.9504
 4    -18.3884  -18.9504        0.2360    0.0000       26.9039   27.0567
 5    -28.5233  -28.0122      -27.5397  -27.0567      -17.0865  -17.3572
 6     18.7552   18.9504       17.1824   17.3572        0.0874    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -29.8085  -29.4657       25.1220   25.5143       20.6568   20.4618
 2    -51.9107  -51.9174       12.2926   12.2267       20.6428   20.4618
 3    -51.7005  -51.9174       25.5584   25.5143       28.3092   28.2197
 4     13.6725   13.2877       22.8668   22.4517       21.2130   21.0174
 5      7.2314    7.7579       37.0481   36.6208      -22.5978  -22.4517
 6    -58.6052  -57.6382       -8.4664   -7.7579      -12.9692  -13.2877
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4934                 1.0189                 0.5697
  Dep-P Fr= 1--      0.6613                 0.5765                 0.6738
  Dep-U Fr= 1--      0.7961                 0.7314                 0.8051
 Alpha2 Fr= 1--      0.0024                 0.0033                 0.0008
 Beta2  Fr= 1--      0.1982                 0.1242                 0.0765
 AlphaG Fr= 1--     -0.0066                -0.0077                -0.0160
 Gamma2 Fr= 1--      0.0826                 0.1120                -0.1555
 Delta2 Fr= 1--     -0.0531                 0.1853                 0.1350
 Raman1 Fr= 1--       5.974                  4.076                  2.279
 ROA1   Fr= 1--       6.228                 16.682                -10.603
 CID1   Fr= 1--       1.043                  4.093                 -4.652
 Raman2 Fr= 1--       2.378                  1.490                  0.917
 ROA2   Fr= 1--       2.406                  1.205                 -4.811
 CID2   Fr= 1--       1.012                  0.809                 -5.244
 Raman3 Fr= 1--       4.756                  2.981                  1.835
 ROA3   Fr= 1--       6.228                 16.682                -10.603
 CID3   Fr= 1--       1.309                  5.596                 -5.779
 RC180  Fr= 1--       0.592                  0.463                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.1966                 0.1267                 0.1144
  Dep-P Fr= 1--      0.7176                 0.4722                 0.7424
  Dep-U Fr= 1--      0.8356                 0.6415                 0.8522
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0274                 0.0135                 0.0162
 AlphaG Fr= 1--      0.0012                 0.0014                -0.0003
 Gamma2 Fr= 1--      0.3603                -0.0683                 0.0353
 Delta2 Fr= 1--     -0.0747                 0.0347                -0.0225
 Raman1 Fr= 1--       0.787                  0.507                  0.457
 ROA1   Fr= 1--      32.194                 -5.449                  2.674
 CID1   Fr= 1--      40.930                -10.754                  5.846
 Raman2 Fr= 1--       0.329                  0.163                  0.195
 ROA2   Fr= 1--       9.244                 -1.918                  1.028
 CID2   Fr= 1--      28.129                -11.800                  5.275
 Raman3 Fr= 1--       0.657                  0.325                  0.390
 ROA3   Fr= 1--      32.194                 -5.449                  2.674
 CID3   Fr= 1--      48.983                -16.763                  6.860
 RC180  Fr= 1--       0.671                  0.283                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.4307                 1.7414                 2.4224
  Dep-P Fr= 1--      0.6593                 0.1526                 0.4034
  Dep-U Fr= 1--      0.7947                 0.2647                 0.5749
 Alpha2 Fr= 1--      0.0007                 0.0267                 0.0177
 Beta2  Fr= 1--      0.0570                 0.0768                 0.2321
 AlphaG Fr= 1--     -0.0052                 0.0695                -0.0057
 Gamma2 Fr= 1--     -0.1957                 0.8277                 0.6208
 Delta2 Fr= 1--      0.1095                 0.1364                -0.0620
 Raman1 Fr= 1--       1.723                  6.966                  9.690
 ROA1   Fr= 1--     -15.288                 83.820                 57.614
 CID1   Fr= 1--      -8.875                 12.033                  5.946
 Raman2 Fr= 1--       0.684                  0.922                  2.785
 ROA2   Fr= 1--      -5.574                 18.773                 15.396
 CID2   Fr= 1--      -8.143                 20.359                  5.527
 Raman3 Fr= 1--       1.369                  1.844                  5.571
 ROA3   Fr= 1--     -15.288                 83.820                 57.614
 CID3   Fr= 1--     -11.168                 45.451                 10.342
 RC180  Fr= 1--       0.589                 -0.471                  0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.4930                 1.9566                 4.6315
  Dep-P Fr= 1--      0.3207                 0.7438                 0.2226
  Dep-U Fr= 1--      0.4856                 0.8531                 0.3642
 Alpha2 Fr= 1--      0.0144                 0.0002                 0.0592
 Beta2  Fr= 1--      0.1208                 0.2782                 0.2811
 AlphaG Fr= 1--     -0.0286                -0.0001                 0.1033
 Gamma2 Fr= 1--     -0.1431                 1.3389                 0.3685
 Delta2 Fr= 1--      0.0367                 0.4333                 0.2514
 Raman1 Fr= 1--       5.972                  7.826                 18.526
 ROA1   Fr= 1--     -12.566                142.397                 43.417
 CID1   Fr= 1--      -2.104                 18.194                  2.344
 Raman2 Fr= 1--       1.450                  3.338                  3.373
 ROA2   Fr= 1--      -3.729                 28.666                  6.832
 CID2   Fr= 1--      -2.572                  8.587                  2.025
 Raman3 Fr= 1--       2.900                  6.677                  6.747
 ROA3   Fr= 1--     -12.566                142.397                 43.417
 CID3   Fr= 1--      -4.333                 21.327                  6.435
 RC180  Fr= 1--      -0.029                  0.706                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.3711                 2.9884                 1.7381
  Dep-P Fr= 1--      0.4757                 0.5556                 0.2125
  Dep-U Fr= 1--      0.6447                 0.7143                 0.3506
 Alpha2 Fr= 1--      0.0131                 0.0111                 0.0228
 Beta2  Fr= 1--      0.2548                 0.3558                 0.1015
 AlphaG Fr= 1--     -0.0132                 0.0056                 0.0401
 Gamma2 Fr= 1--      0.1015                -0.9269                 0.1800
 Delta2 Fr= 1--     -0.0152                -0.5224                -0.1408
 Raman1 Fr= 1--       9.485                 11.954                  6.952
 ROA1   Fr= 1--       9.254               -105.700                 12.771
 CID1   Fr= 1--       0.976                 -8.843                  1.837
 Raman2 Fr= 1--       3.057                  4.269                  1.219
 ROA2   Fr= 1--       2.557                -18.067                  5.446
 CID2   Fr= 1--       0.836                 -4.232                  4.469
 Raman3 Fr= 1--       6.115                  8.538                  2.437
 ROA3   Fr= 1--       9.254               -105.700                 12.771
 CID3   Fr= 1--       1.513                -12.380                  5.240
 RC180  Fr= 1--       0.289                  0.429                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      7.9675                 9.1715                 7.2829
  Dep-P Fr= 1--      0.2969                 0.0178                 0.2363
  Dep-U Fr= 1--      0.4578                 0.0350                 0.3823
 Alpha2 Fr= 1--      0.0825                 0.1955                 0.0897
 Beta2  Fr= 1--      0.6079                 0.0535                 0.4641
 AlphaG Fr= 1--     -0.1375                -0.2929                 0.2730
 Gamma2 Fr= 1--      0.0857                -1.0244                -2.8738
 Delta2 Fr= 1--      0.2580                -0.2311                -0.8139
 Raman1 Fr= 1--      31.870                 36.686                 29.131
 ROA1   Fr= 1--      16.487               -105.735               -301.927
 CID1   Fr= 1--       0.517                 -2.882                -10.364
 Raman2 Fr= 1--       7.295                  0.642                  5.569
 ROA2   Fr= 1--      -0.006                -22.736                -62.460
 CID2   Fr= 1--      -0.001                -35.427                -11.216
 Raman3 Fr= 1--      14.591                  1.284                 11.138
 ROA3   Fr= 1--      16.487               -105.735               -301.927
 CID3   Fr= 1--       1.130                -82.380                -27.108
 RC180  Fr= 1--      -0.084                 -0.930                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      4.5129                 4.6116                 8.0038
  Dep-P Fr= 1--      0.6454                 0.1553                 0.2694
  Dep-U Fr= 1--      0.7845                 0.2688                 0.4244
 Alpha2 Fr= 1--      0.0085                 0.0703                 0.0898
 Beta2  Fr= 1--      0.5901                 0.2066                 0.5662
 AlphaG Fr= 1--     -0.1017                -0.2467                 0.2711
 Gamma2 Fr= 1--      2.8524                 0.8974                -1.8967
 Delta2 Fr= 1--      0.4070                -0.4726                -0.9076
 Raman1 Fr= 1--      18.052                 18.446                 32.015
 ROA1   Fr= 1--     286.856                 71.033               -211.128
 CID1   Fr= 1--      15.891                  3.851                 -6.595
 Raman2 Fr= 1--       7.081                  2.479                  6.794
 ROA2   Fr= 1--      65.202                 25.319                -38.261
 CID2   Fr= 1--       9.208                 10.212                 -5.632
 Raman3 Fr= 1--      14.162                  4.959                 13.588
 ROA3   Fr= 1--     286.856                 71.033               -211.128
 CID3   Fr= 1--      20.256                 14.325                -15.538
 RC180  Fr= 1--       0.569                 -0.462                 -0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      7.1182                 3.4694                 2.1211
  Dep-P Fr= 1--      0.4604                 0.5986                 0.2534
  Dep-U Fr= 1--      0.6305                 0.7489                 0.4043
 Alpha2 Fr= 1--      0.0418                 0.0097                 0.0249
 Beta2  Fr= 1--      0.7480                 0.4331                 0.1429
 AlphaG Fr= 1--     -0.0540                -0.0070                 0.0118
 Gamma2 Fr= 1--      0.3420                 1.9409                -0.9423
 Delta2 Fr= 1--      0.9376                 0.1521                -0.3259
 Raman1 Fr= 1--      28.473                 13.877                  8.485
 ROA1   Fr= 1--      62.836                191.198               -100.892
 CID1   Fr= 1--       2.207                 13.778                -11.891
 Raman2 Fr= 1--       8.976                  5.197                  1.715
 ROA2   Fr= 1--       0.707                 45.365                -20.008
 CID2   Fr= 1--       0.079                  8.730                -11.665
 Raman3 Fr= 1--      17.953                 10.393                  3.430
 ROA3   Fr= 1--      62.836                191.198               -100.892
 CID3   Fr= 1--       3.500                 18.396                -29.411
 RC180  Fr= 1--       0.261                  0.498                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     19.2471                 3.3446                 5.0408
  Dep-P Fr= 1--      0.6787                 0.7327                 0.2055
  Dep-U Fr= 1--      0.8086                 0.8457                 0.3409
 Alpha2 Fr= 1--      0.0242                 0.0010                 0.0675
 Beta2  Fr= 1--      2.5938                 0.4714                 0.2864
 AlphaG Fr= 1--     -0.0731                -0.0245                 0.0944
 Gamma2 Fr= 1--     -2.1229                -2.9865                -0.5226
 Delta2 Fr= 1--     -0.0447                -1.8881                 0.0125
 Raman1 Fr= 1--      76.989                 13.378                 20.163
 ROA1   Fr= 1--    -205.232               -347.122                -49.767
 CID1   Fr= 1--      -2.666                -25.947                 -2.468
 Raman2 Fr= 1--      31.125                  5.657                  3.437
 ROA2   Fr= 1--     -50.593                -56.570                -12.642
 CID2   Fr= 1--      -1.625                -10.000                 -3.678
 Raman3 Fr= 1--      62.251                 11.314                  6.874
 ROA3   Fr= 1--    -205.232               -347.122                -49.767
 CID3   Fr= 1--      -3.297                -30.680                 -7.240
 RC180  Fr= 1--       0.617                  0.691                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      1.8467                 3.8038                 2.3619
  Dep-P Fr= 1--      0.7492                 0.4683                 0.2137
  Dep-U Fr= 1--      0.8566                 0.6379                 0.3521
 Alpha2 Fr= 1--      0.0000                 0.0216                 0.0309
 Beta2  Fr= 1--      0.2637                 0.4044                 0.1386
 AlphaG Fr= 1--     -0.0053                 0.0619                -0.0860
 Gamma2 Fr= 1--     -0.5527                -0.4334                 1.3305
 Delta2 Fr= 1--      0.8418                -0.2567                 0.4707
 Raman1 Fr= 1--       7.387                 15.215                  9.447
 ROA1   Fr= 1--     -26.122                -49.822                142.793
 CID1   Fr= 1--      -3.536                 -3.275                 15.114
 Raman2 Fr= 1--       3.164                  4.853                  1.663
 ROA2   Fr= 1--     -19.999                 -8.349                 28.168
 CID2   Fr= 1--      -6.321                 -1.720                 16.934
 Raman3 Fr= 1--       6.328                  9.706                  3.327
 ROA3   Fr= 1--     -26.122                -49.822                142.793
 CID3   Fr= 1--      -4.128                 -5.133                 42.923
 RC180  Fr= 1--       0.713                  0.276                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      5.7457                 3.2632                 5.4456
  Dep-P Fr= 1--      0.3940                 0.6269                 0.7295
  Dep-U Fr= 1--      0.5653                 0.7707                 0.8436
 Alpha2 Fr= 1--      0.0435                 0.0073                 0.0019
 Beta2  Fr= 1--      0.5413                 0.4191                 0.7656
 AlphaG Fr= 1--     -0.0507                -0.0222                -0.0148
 Gamma2 Fr= 1--      0.3538                -3.5818                 2.1469
 Delta2 Fr= 1--      0.5562                -0.8933                -0.1583
 Raman1 Fr= 1--      22.983                 13.053                 21.782
 ROA1   Fr= 1--      51.761               -372.433                201.039
 CID1   Fr= 1--       2.252                -28.533                  9.229
 Raman2 Fr= 1--       6.496                  5.030                  9.188
 ROA2   Fr= 1--       4.041                -78.816                 52.792
 CID2   Fr= 1--       0.622                -15.670                  5.746
 Raman3 Fr= 1--      12.991                 10.060                 18.376
 ROA3   Fr= 1--      51.761               -372.433                201.039
 CID3   Fr= 1--       3.984                -37.023                 10.941
 RC180  Fr= 1--       0.131                  0.541                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.1952                 3.2639                 3.1229
  Dep-P Fr= 1--      0.3483                 0.7498                 0.4474
  Dep-U Fr= 1--      0.5167                 0.8570                 0.6182
 Alpha2 Fr= 1--      0.0282                 0.0000                 0.0193
 Beta2  Fr= 1--      0.2752                 0.4662                 0.3218
 AlphaG Fr= 1--      0.0912                -0.0001                 0.0789
 Gamma2 Fr= 1--     -0.0640                -0.5210                 0.6185
 Delta2 Fr= 1--      0.4958                 0.5088                -0.3554
 Raman1 Fr= 1--      12.781                 13.055                 12.492
 ROA1   Fr= 1--       9.725                -33.736                 48.002
 CID1   Fr= 1--       0.761                 -2.584                  3.843
 Raman2 Fr= 1--       3.302                  5.595                  3.861
 ROA2   Fr= 1--      -5.501                -16.575                 17.687
 CID2   Fr= 1--      -1.666                 -2.963                  4.580
 Raman3 Fr= 1--       6.604                 11.189                  7.723
 ROA3   Fr= 1--       9.725                -33.736                 48.002
 CID3   Fr= 1--       1.473                 -3.015                  6.216
 RC180  Fr= 1--       0.033                  0.714                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      3.7315                11.1600                 5.5070
  Dep-P Fr= 1--      0.5410                 0.3120                 0.5802
  Dep-U Fr= 1--      0.7021                 0.4756                 0.7344
 Alpha2 Fr= 1--      0.0150                 0.1104                 0.0175
 Beta2  Fr= 1--      0.4367                 0.8846                 0.6740
 AlphaG Fr= 1--     -0.0423                -0.0924                 0.0075
 Gamma2 Fr= 1--      0.6633                -5.8612                 1.0482
 Delta2 Fr= 1--      0.8730                -1.5384                 0.5486
 Raman1 Fr= 1--      14.926                 44.640                 22.028
 ROA1   Fr= 1--      91.614               -611.902                118.181
 CID1   Fr= 1--       6.138                -13.708                  5.365
 Raman2 Fr= 1--       5.240                 10.615                  8.088
 ROA2   Fr= 1--       8.935               -128.361                 20.767
 CID2   Fr= 1--       1.705                -12.093                  2.567
 Raman3 Fr= 1--      10.480                 21.230                 16.177
 ROA3   Fr= 1--      91.614               -611.902                118.181
 CID3   Fr= 1--       8.742                -28.823                  7.306
 RC180  Fr= 1--       0.404                 -0.049                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.4021                 4.7311                 2.7689
  Dep-P Fr= 1--      0.5524                 0.2125                 0.7391
  Dep-U Fr= 1--      0.7117                 0.3505                 0.8500
 Alpha2 Fr= 1--      0.0241                 0.0621                 0.0005
 Beta2  Fr= 1--      0.7594                 0.2764                 0.3923
 AlphaG Fr= 1--     -0.0284                 0.0403                -0.0035
 Gamma2 Fr= 1--     -0.8211                 0.0775                 1.3643
 Delta2 Fr= 1--     -0.0656                 0.2772                 1.1741
 Raman1 Fr= 1--      25.609                 18.924                 11.076
 ROA1   Fr= 1--     -80.925                 16.315                168.542
 CID1   Fr= 1--      -3.160                  0.862                 15.217
 Raman2 Fr= 1--       9.112                  3.316                  4.707
 ROA2   Fr= 1--     -19.181                 -0.357                 23.349
 CID2   Fr= 1--      -2.105                 -0.108                  4.960
 Raman3 Fr= 1--      18.225                  6.633                  9.414
 ROA3   Fr= 1--     -80.925                 16.315                168.542
 CID3   Fr= 1--      -4.440                  2.460                 17.902
 RC180  Fr= 1--       0.423                 -0.299                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      8.8075                 0.3441                 8.6283
  Dep-P Fr= 1--      0.2666                 0.1938                 0.4318
  Dep-U Fr= 1--      0.4210                 0.3247                 0.6032
 Alpha2 Fr= 1--      0.0996                 0.0047                 0.0568
 Beta2  Fr= 1--      0.6180                 0.0186                 0.8674
 AlphaG Fr= 1--     -0.2088                -0.0095                 0.0598
 Gamma2 Fr= 1--     -1.8952                -0.0298                 0.9816
 Delta2 Fr= 1--     -0.0484                -0.0393                 0.4080
 Raman1 Fr= 1--      35.230                  1.376                 34.513
 ROA1   Fr= 1--    -183.492                 -4.117                107.285
 CID1   Fr= 1--      -5.208                 -2.991                  3.109
 Raman2 Fr= 1--       7.416                  0.223                 10.409
 ROA2   Fr= 1--     -45.099                 -0.401                 20.294
 CID2   Fr= 1--      -6.081                 -1.794                  1.950
 Raman3 Fr= 1--      14.832                  0.447                 20.818
 ROA3   Fr= 1--    -183.492                 -4.117                107.285
 CID3   Fr= 1--     -12.371                 -9.211                  5.153
 RC180  Fr= 1--      -0.158                 -0.351                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--      8.6777                36.6556                 9.4174
  Dep-P Fr= 1--      0.1371                 0.2200                 0.5001
  Dep-U Fr= 1--      0.2411                 0.3606                 0.6668
 Alpha2 Fr= 1--      0.1386                 0.4719                 0.0465
 Beta2  Fr= 1--      0.3487                 2.2029                 1.0465
 AlphaG Fr= 1--     -0.0641                -0.3514                -0.1394
 Gamma2 Fr= 1--     -0.3494                -2.7361                -1.2248
 Delta2 Fr= 1--     -0.0229                 0.5142                -0.0487
 Raman1 Fr= 1--      34.711                146.622                 37.670
 ROA1   Fr= 1--     -34.281               -246.214               -119.137
 CID1   Fr= 1--      -0.988                 -1.679                 -3.163
 Raman2 Fr= 1--       4.184                 26.435                 12.558
 ROA2   Fr= 1--      -8.203                -69.781                -29.006
 CID2   Fr= 1--      -1.961                 -2.640                 -2.310
 Raman3 Fr= 1--       8.368                 52.870                 25.117
 ROA3   Fr= 1--     -34.281               -246.214               -119.137
 CID3   Fr= 1--      -4.097                 -4.657                 -4.743
 RC180  Fr= 1--      -0.518                 -0.279                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     10.8523                 9.8775                23.7558
  Dep-P Fr= 1--      0.6041                 0.5968                 0.4462
  Dep-U Fr= 1--      0.7532                 0.7475                 0.6170
 Alpha2 Fr= 1--      0.0293                 0.0281                 0.1479
 Beta2  Fr= 1--      1.3623                 1.2305                 2.4431
 AlphaG Fr= 1--      0.0288                -0.0796                -0.0602
 Gamma2 Fr= 1--      1.6085                -2.9012                -2.8211
 Delta2 Fr= 1--      1.1442                 0.7435                -1.0056
 Raman1 Fr= 1--      43.409                 39.510                 95.023
 ROA1   Fr= 1--     191.027               -254.725               -303.010
 CID1   Fr= 1--       4.401                 -6.447                 -3.189
 Raman2 Fr= 1--      16.347                 14.766                 29.317
 ROA2   Fr= 1--      29.450                -75.577                -59.663
 CID2   Fr= 1--       1.802                 -5.118                 -2.035
 Raman3 Fr= 1--      32.694                 29.532                 58.634
 ROA3   Fr= 1--     191.027               -254.725               -303.010
 CID3   Fr= 1--       5.843                 -8.625                 -5.168
 RC180  Fr= 1--       0.506                  0.495                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      0.9575                 1.4279                 3.8048
  Dep-P Fr= 1--      0.7363                 0.6108                 0.5573
  Dep-U Fr= 1--      0.8482                 0.7584                 0.7157
 Alpha2 Fr= 1--      0.0002                 0.0037                 0.0139
 Beta2  Fr= 1--      0.1354                 0.1805                 0.4539
 AlphaG Fr= 1--      0.0008                -0.0036                -0.0010
 Gamma2 Fr= 1--      0.9378                 0.3937                 0.2249
 Delta2 Fr= 1--      0.4090                 0.4014                -0.2930
 Raman1 Fr= 1--       3.830                  5.712                 15.219
 ROA1   Fr= 1--     103.120                 50.644                 12.217
 CID1   Fr= 1--      26.923                  8.867                  0.803
 Raman2 Fr= 1--       1.624                  2.166                  5.447
 ROA2   Fr= 1--      19.236                  6.239                  7.743
 CID2   Fr= 1--      11.843                  2.881                  1.422
 Raman3 Fr= 1--       3.249                  4.332                 10.893
 ROA3   Fr= 1--     103.120                 50.644                 12.217
 CID3   Fr= 1--      31.743                 11.692                  1.122
 RC180  Fr= 1--       0.696                  0.517                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      3.5737               122.6658               120.8782
  Dep-P Fr= 1--      0.5466                 0.1914                 0.2553
  Dep-U Fr= 1--      0.7068                 0.3214                 0.4067
 Alpha2 Fr= 1--      0.0139                 1.7039                 1.4116
 Beta2  Fr= 1--      0.4210                 6.5699                 8.1940
 AlphaG Fr= 1--     -0.0466                -0.1958                -2.6845
 Gamma2 Fr= 1--      1.7759                -3.9830               -20.5765
 Delta2 Fr= 1--     -0.1057                 2.2050                 5.7221
 Raman1 Fr= 1--      14.295                490.663                483.513
 ROA1   Fr= 1--     167.105               -311.811              -1792.232
 CID1   Fr= 1--      11.690                 -0.635                 -3.707
 Raman2 Fr= 1--       5.052                 78.838                 98.328
 ROA2   Fr= 1--      43.467               -113.233               -539.612
 CID2   Fr= 1--       8.604                 -1.436                 -5.488
 Raman3 Fr= 1--      10.104                157.677                196.656
 ROA3   Fr= 1--     167.105               -311.811              -1792.232
 CID3   Fr= 1--      16.538                 -1.978                 -9.114
 RC180  Fr= 1--       0.414                 -0.357                 -0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    311.5047               139.3607               288.7161
  Dep-P Fr= 1--      0.0560                 0.0570                 0.0363
  Dep-U Fr= 1--      0.1061                 0.1078                 0.0701
 Alpha2 Fr= 1--      6.0652                 2.7075                 5.8909
 Beta2  Fr= 1--      5.5098                 2.5031                 3.3750
 AlphaG Fr= 1--     -1.0305                -0.1534                 0.0517
 Gamma2 Fr= 1--     -9.6437                -0.8023                 3.6000
 Delta2 Fr= 1--      1.3774                -0.1116                 0.3093
 Raman1 Fr= 1--    1246.019                557.443               1154.865
 ROA1   Fr= 1--    -881.720                -80.592                355.500
 CID1   Fr= 1--      -0.708                 -0.145                  0.308
 Raman2 Fr= 1--      66.118                 30.037                 40.500
 ROA2   Fr= 1--    -242.468                -18.363                 83.926
 CID2   Fr= 1--      -3.667                 -0.611                  2.072
 Raman3 Fr= 1--     132.236                 60.075                 81.000
 ROA3   Fr= 1--    -881.720                -80.592                355.500
 CID3   Fr= 1--      -6.668                 -1.342                  4.389
 RC180  Fr= 1--      -0.788                 -0.784                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     76.0366               105.5714               209.9514
  Dep-P Fr= 1--      0.6040                 0.5678                 0.1282
  Dep-U Fr= 1--      0.7531                 0.7243                 0.2272
 Alpha2 Fr= 1--      0.2051                 0.3636                 3.4290
 Beta2  Fr= 1--      9.5441                12.7442                 7.9497
 AlphaG Fr= 1--     -0.3895                -0.8738                 0.4378
 Gamma2 Fr= 1--     17.9648                20.0878               -49.3965
 Delta2 Fr= 1--     10.7225                10.3522               -28.5334
 Raman1 Fr= 1--     304.146                422.286                839.805
 ROA1   Fr= 1--    2067.737               2259.695              -5655.136
 CID1   Fr= 1--       6.798                  5.351                 -6.734
 Raman2 Fr= 1--     114.529                152.931                 95.397
 ROA2   Fr= 1--     345.374                399.289               -957.250
 CID2   Fr= 1--       3.016                  2.611                -10.034
 Raman3 Fr= 1--     229.058                305.861                190.793
 ROA3   Fr= 1--    2067.737               2259.695              -5655.136
 CID3   Fr= 1--       9.027                  7.388                -29.640
 RC180  Fr= 1--       0.506                  0.449                 -0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     35.8375               168.1003                42.1609
  Dep-P Fr= 1--      0.7368                 0.7400                 0.7496
  Dep-U Fr= 1--      0.8485                 0.8506                 0.8569
 Alpha2 Fr= 1--      0.0081                 0.0286                 0.0003
 Beta2  Fr= 1--      5.0679                23.8304                 6.0213
 AlphaG Fr= 1--     -0.0203                -0.2705                 0.0027
 Gamma2 Fr= 1--    -15.3164               -17.5325                39.7245
 Delta2 Fr= 1--     -7.1092               -13.6416                25.0841
 Raman1 Fr= 1--     143.350                672.401                168.644
 ROA1   Fr= 1--   -1697.873              -2119.651               4616.240
 CID1   Fr= 1--     -11.844                 -3.152                 27.373
 Raman2 Fr= 1--      60.815                285.965                 72.255
 ROA2   Fr= 1--    -310.721               -311.647                752.714
 CID2   Fr= 1--      -5.109                 -1.090                 10.417
 Raman3 Fr= 1--     121.629                571.929                144.510
 ROA3   Fr= 1--   -1697.873              -2119.651               4616.240
 CID3   Fr= 1--     -13.959                 -3.706                 31.944
 RC180  Fr= 1--       0.697                  0.701                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     55.8753                61.6959               113.4602
  Dep-P Fr= 1--      0.7300                 0.7208                 0.4679
  Dep-U Fr= 1--      0.8439                 0.8378                 0.6375
 Alpha2 Fr= 1--      0.0191                 0.0310                 0.6462
 Beta2  Fr= 1--      7.8592                 8.6145                12.0545
 AlphaG Fr= 1--     -0.0573                 0.0666                -0.3467
 Gamma2 Fr= 1--     -6.4782                 2.7148                 7.4690
 Delta2 Fr= 1--     -2.7062                 2.7607               -18.9713
 Raman1 Fr= 1--     223.501                246.784                453.841
 ROA1   Fr= 1--    -708.511                348.968                109.949
 CID1   Fr= 1--      -3.170                  1.414                  0.242
 Raman2 Fr= 1--      94.310                103.375                144.654
 ROA2   Fr= 1--    -133.828                 43.071                331.027
 CID2   Fr= 1--      -1.419                  0.417                  2.288
 Raman3 Fr= 1--     188.621                206.749                289.308
 ROA3   Fr= 1--    -708.511                348.968                109.949
 CID3   Fr= 1--      -3.756                  1.688                  0.380
 RC180  Fr= 1--       0.688                  0.676                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     36.1578               126.6634               164.8692
  Dep-P Fr= 1--      0.5684                 0.1992                 0.1348
  Dep-U Fr= 1--      0.7248                 0.3322                 0.2376
 Alpha2 Fr= 1--      0.1241                 1.7237                 2.6483
 Beta2  Fr= 1--      4.3678                 7.0137                 6.5281
 AlphaG Fr= 1--      0.0590                 0.7656                 0.5905
 Gamma2 Fr= 1--      0.3728                15.5770                -1.7158
 Delta2 Fr= 1--      0.3513                14.6127                -2.1158
 Raman1 Fr= 1--     144.631                506.654                659.477
 ROA1   Fr= 1--      47.035               1962.995               -232.424
 CID1   Fr= 1--       0.325                  3.874                 -0.352
 Raman2 Fr= 1--      52.414                 84.165                 78.337
 ROA2   Fr= 1--       6.138                256.946                -24.253
 CID2   Fr= 1--       0.117                  3.053                 -0.310
 Raman3 Fr= 1--     104.828                168.330                156.675
 ROA3   Fr= 1--      47.035               1962.995               -232.424
 CID3   Fr= 1--       0.449                 11.662                 -1.483
 RC180  Fr= 1--       0.450                 -0.336                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146076D+03 -0.520217D+01 -0.281368D+01
      2  -0.520217D+01  0.112388D+03  0.141005D+01
      3  -0.281368D+01  0.141005D+01  0.101130D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.469348D+01  0.263688D+00  0.204103D+01
      2   0.267930D+02 -0.567673D+01  0.886158D+01
      3  -0.193982D+02  0.100888D+02  0.832936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.408677D+02 -0.110377D+02  0.980880D+01
      2   0.570100D+01  0.984879D+01 -0.184109D+02
      3   0.351667D+02  0.118894D+01  0.860208D+01
      4  -0.343696D+02 -0.208969D+02 -0.895937D+01
      5   0.177932D+02 -0.115599D+02  0.310205D+02
      6   0.414990D+01 -0.266852D+01 -0.885528D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.227775D+02 -0.571476D+00 -0.147870D+01 -0.267732D+01 -0.177857D+01
      2  -0.571476D+00  0.429414D+00 -0.203492D+00 -0.177857D+01 -0.619047D+01
      3  -0.147870D+01 -0.203492D+00 -0.410228D+01  0.478972D+00 -0.130516D+01
                 6             7             8             9            10 
      1   0.478972D+00 -0.576554D+01 -0.225875D+01 -0.554808D+01 -0.282263D+01
      2  -0.130516D+01 -0.225875D+01  0.341339D+00  0.135139D+01  0.234608D+01
      3   0.705123D+00 -0.554808D+01  0.135139D+01  0.281463D+01 -0.253183D+00
                11            12            13            14            15 
      1   0.234608D+01 -0.253183D+00 -0.327860D+00 -0.213977D+01  0.804737D+00
      2  -0.111645D+01  0.300370D+01 -0.213977D+01  0.592469D+01  0.146099D+01
      3   0.300370D+01 -0.184368D+01  0.804737D+00  0.146099D+01  0.435606D+00
                16            17            18            19            20 
      1  -0.122612D+01  0.449862D+01 -0.109120D+01  0.267346D+02 -0.441344D+01
      2   0.449862D+01  0.224587D+01  0.169353D+00 -0.441344D+01  0.472757D+01
      3  -0.109120D+01  0.169353D+00  0.131993D+01 -0.235269D+01 -0.124261D+00
                21            22            23            24            25 
      1  -0.235269D+01 -0.689524D+01  0.473180D+01  0.860251D+00 -0.654371D+01
      2  -0.124261D+00  0.473180D+01  0.354041D+01  0.175522D+00  0.181087D-01
      3   0.222355D+01  0.860251D+00  0.175522D+00 -0.279136D+01  0.404165D+01
                26            27            28            29            30 
      1   0.181087D-01  0.404165D+01 -0.225143D+02  0.524361D+01  0.271491D+01
      2  -0.661328D+00 -0.314464D+01  0.524361D+01 -0.385822D+01 -0.902732D+00
      3  -0.314464D+01 -0.452090D+01  0.271491D+01 -0.902732D+00 -0.366880D+01
                31            32            33            34            35 
      1   0.105129D+02 -0.628855D+01 -0.752625D+00  0.696942D+01 -0.143339D+01
      2  -0.628855D+01  0.126868D+01  0.130139D+00 -0.143339D+01  0.102340D+01
      3  -0.752625D+00  0.130139D+00  0.233688D+01 -0.495536D+01  0.102711D+01
                36            37            38            39            40 
      1  -0.495536D+01  0.114445D+02 -0.326882D+01  0.826893D-01 -0.358888D+01
      2   0.102711D+01 -0.326882D+01 -0.330289D+00 -0.446781D+00  0.133459D+01
      3   0.250110D+01  0.826893D-01 -0.446781D+00  0.267033D+01 -0.465855D+00
                41            42            43            44            45 
      1   0.133459D+01 -0.465855D+00 -0.156813D+00 -0.149041D+00  0.635487D+01
      2   0.627937D+01  0.137016D+01 -0.149041D+00  0.171432D+01 -0.132051D+01
      3   0.137016D+01 -0.154835D+01  0.635487D+01 -0.132051D+01 -0.500116D+01
                46            47            48            49            50 
      1  -0.106913D+01 -0.339881D+01 -0.206409D+01 -0.512635D+01  0.483024D+01
      2  -0.339881D+01  0.179712D+01  0.828661D-01  0.483024D+01 -0.781358D+00
      3  -0.206409D+01  0.828661D-01  0.249452D+01 -0.321126D+00  0.757152D+00
                51            52            53            54            55 
      1  -0.321126D+00 -0.210924D+01 -0.796683D+00  0.459790D+01  0.231555D+01
      2   0.757152D+00 -0.796683D+00  0.240299D+01 -0.355289D+01  0.153973D+01
      3  -0.240794D+01  0.459790D+01 -0.355289D+01  0.208964D+01  0.123043D+01
                56            57            58            59            60 
      1   0.153973D+01  0.123043D+01  0.199299D+01 -0.879219D+00 -0.164994D+00
      2  -0.368374D+00  0.914155D-01 -0.879219D+00 -0.744146D+01 -0.120583D+00
      3   0.914155D-01 -0.985471D+00 -0.164994D+00 -0.120583D+00  0.139779D+01
                61            62            63            64            65 
      1   0.176031D+01  0.204014D+00 -0.109993D+01  0.133416D+02 -0.128397D+01
      2   0.204014D+00  0.703834D+00  0.516385D+00 -0.128397D+01  0.203033D+01
      3  -0.109993D+01  0.516385D+00 -0.512400D+01  0.466857D+01 -0.803618D+00
                66            67            68            69            70 
      1   0.466857D+01  0.229474D+01  0.590574D+01  0.605306D+00  0.125986D+02
      2  -0.803618D+00  0.590574D+01 -0.420531D+01  0.122503D+01 -0.228016D+00
      3   0.318440D+01  0.605306D+00  0.122503D+01  0.100075D+01  0.439547D+01
                71            72            73            74            75 
      1  -0.228016D+00  0.439547D+01  0.419109D+01 -0.106182D+01 -0.190613D+01
      2   0.389916D+00  0.108378D+01 -0.106182D+01  0.350292D+00  0.500728D+00
      3   0.108378D+01 -0.133631D+01 -0.190613D+01  0.500728D+00  0.246872D+01
                76            77            78            79            80 
      1  -0.289201D+01  0.268882D+00  0.268475D+00 -0.233787D+01  0.589293D+00
      2   0.268882D+00 -0.684994D+00 -0.138195D+01  0.589293D+00 -0.179446D+01
      3   0.268475D+00 -0.138195D+01 -0.219769D+01  0.302657D+01 -0.261200D+01
                81            82            83            84            85 
      1   0.302657D+01  0.281961D+01  0.148451D+01 -0.123878D+01  0.113659D+01
      2  -0.261200D+01  0.148451D+01  0.178004D+01 -0.152262D+01  0.144092D+01
      3  -0.813193D+01 -0.123878D+01 -0.152262D+01  0.181253D+01 -0.132446D+01
                86            87            88            89            90 
      1   0.144092D+01 -0.132446D+01 -0.194757D+01 -0.179725D+01  0.150593D+01
      2   0.415835D+01 -0.232737D+01 -0.179725D+01 -0.267420D+01  0.210787D+01
      3  -0.232737D+01  0.203266D+01  0.150593D+01  0.210787D+01 -0.277118D+01
                91            92            93            94            95 
      1   0.176909D+00 -0.145479D+01 -0.621455D+00 -0.172641D+01 -0.128924D+01
      2  -0.145479D+01 -0.107812D+01  0.134360D+00 -0.128924D+01 -0.102175D+02
      3  -0.621455D+00  0.134360D+00  0.227900D+00 -0.258917D-01 -0.171255D+01
                96            97            98            99           100 
      1  -0.258917D-01 -0.209318D+01  0.289270D+00 -0.614336D+00 -0.565490D+00
      2  -0.171255D+01  0.289270D+00 -0.825707D+00 -0.432496D+00 -0.627913D+00
      3  -0.108850D+01 -0.614336D+00 -0.432496D+00 -0.266038D-01 -0.342484D+00
               101           102           103           104           105 
      1  -0.627913D+00 -0.342484D+00 -0.279328D+01 -0.321041D+01 -0.682213D-01
      2  -0.353180D+00 -0.440198D-01 -0.321041D+01 -0.829468D+01 -0.473058D+00
      3  -0.440198D-01 -0.216437D+00 -0.682213D-01 -0.473058D+00 -0.106840D+01
               106           107           108           109           110 
      1  -0.856869D+00 -0.427029D+00 -0.771653D+00 -0.111024D+02  0.134659D+01
      2  -0.427029D+00 -0.105877D+01 -0.869291D+00  0.134659D+01 -0.109561D+01
      3  -0.771653D+00 -0.869291D+00 -0.395766D-01 -0.213643D+01  0.620362D+00
               111           112           113           114           115 
      1  -0.213643D+01  0.500214D+01 -0.155874D+01  0.650276D+00 -0.517776D+01
      2   0.620362D+00 -0.155874D+01  0.779053D+00 -0.871386D+00  0.621484D+00
      3  -0.174800D+01  0.650276D+00 -0.871386D+00  0.999628D+00 -0.312440D+01
               116           117           118           119           120 
      1   0.621484D+00 -0.312440D+01 -0.460385D+01  0.184992D+00  0.193017D+01
      2  -0.116124D+01  0.751344D+00  0.184992D+00 -0.164772D+00  0.686790D-01
      3   0.751344D+00 -0.122152D+01  0.193017D+01  0.686790D-01 -0.188726D+01
               121           122           123           124           125 
      1   0.227265D+01 -0.809491D+00 -0.632032D+00  0.583596D+01  0.555982D+00
      2  -0.809491D+00 -0.170743D+00  0.839403D+00  0.555982D+00  0.106101D+01
      3  -0.632032D+00  0.839403D+00  0.101395D+01 -0.508521D+01  0.368468D+00
               126           127           128           129           130 
      1  -0.508521D+01 -0.533958D+01  0.254282D+01  0.250200D+01  0.233257D+01
      2   0.368468D+00  0.254282D+01 -0.228019D+01 -0.102774D+01 -0.207305D+01
      3   0.734230D+01  0.250200D+01 -0.102774D+01 -0.179036D+01 -0.855950D+00
               131           132           133           134           135 
      1  -0.207305D+01 -0.855950D+00  0.397877D+01 -0.146075D+01 -0.292582D+01
      2   0.189921D+01  0.115755D+01 -0.146075D+01  0.170898D+01  0.212425D+01
      3   0.115755D+01  0.123254D+01 -0.292582D+01  0.212425D+01  0.253799D+01
               136           137           138           139           140 
      1  -0.224030D+01  0.203723D+01 -0.106214D+01  0.198196D+01 -0.219338D+01
      2   0.203723D+01 -0.163641D+01  0.672946D+00 -0.219338D+01  0.362905D+01
      3  -0.106214D+01  0.672946D+00 -0.117681D+01  0.102512D+01 -0.211065D+01
               141           142           143           144           145 
      1   0.102512D+01 -0.279064D+01  0.222511D+01 -0.305645D+01  0.110240D+00
      2  -0.211065D+01  0.222511D+01 -0.445829D+01  0.317807D+01 -0.282815D+00
      3   0.180738D+01 -0.305645D+01  0.317807D+01 -0.462650D+01  0.688064D+00
               146           147           148           149           150 
      1  -0.282815D+00  0.688064D+00 -0.911729D+00  0.687131D+00 -0.312382D+00
      2   0.378683D+00 -0.377732D-01  0.687131D+00  0.538098D-01  0.103591D+01
      3  -0.377732D-01  0.593626D+00 -0.312382D+00  0.103591D+01 -0.735704D+00
               151           152           153           154           155 
      1   0.155672D+01 -0.396447D+00  0.680146D+00  0.272095D+00  0.115435D+01
      2  -0.396447D+00  0.153622D+01  0.103974D+01  0.115435D+01  0.619265D+00
      3   0.680146D+00  0.103974D+01  0.700271D+01 -0.123112D+00  0.815101D-01
               156           157           158           159           160 
      1  -0.123112D+00  0.112989D+01  0.363912D+00  0.674125D-01 -0.511132D+00
      2   0.815101D-01  0.363912D+00  0.121361D+02  0.546742D+00  0.688769D-01
      3   0.202802D+00  0.674125D-01  0.546742D+00  0.815259D+00  0.127272D+00
               161           162           163           164           165 
      1   0.688769D-01  0.127272D+00  0.407369D+01  0.299816D+00 -0.322615D+01
      2  -0.105594D+01  0.111042D+01  0.299816D+00 -0.331801D+01 -0.546910D+00
      3   0.111042D+01  0.337433D+00 -0.322615D+01 -0.546910D+00 -0.193833D+01
               166           167           168           169           170 
      1  -0.164789D+00 -0.470916D+01 -0.860918D+00 -0.421802D+01 -0.658752D+00
      2  -0.470916D+01  0.559448D+01 -0.327523D+01 -0.658752D+00 -0.177078D+01
      3  -0.860918D+00 -0.327523D+01 -0.331220D+01 -0.275945D+01 -0.271955D+01
               171           172           173           174           175 
      1  -0.275945D+01 -0.230625D+01 -0.766044D+00 -0.362554D+01 -0.163438D+01
      2  -0.271955D+01 -0.766044D+00 -0.362632D+01 -0.966671D+00 -0.602763D+01
      3  -0.640440D-01 -0.362554D+01 -0.966671D+00 -0.112637D+01 -0.137524D+01
               176           177           178           179           180 
      1  -0.602763D+01 -0.137524D+01 -0.439956D+01 -0.140627D+01 -0.241010D+01
      2   0.514368D+01 -0.181896D+00 -0.140627D+01 -0.707205D+00 -0.290784D+01
      3  -0.181896D+00 -0.290664D+01 -0.241010D+01 -0.290784D+01  0.478258D+01
               181           182           183           184           185 
      1  -0.572548D+01 -0.270601D+00  0.126802D+01 -0.303633D+00 -0.276721D+00
      2  -0.270601D+00 -0.816114D+00  0.658961D+00 -0.276721D+00 -0.515085D+00
      3   0.126802D+01  0.658961D+00 -0.244868D+01  0.368988D+00  0.537234D+00
               186           187           188           189           190 
      1   0.368988D+00  0.136382D+01  0.308976D+00 -0.104020D+01  0.276055D+01
      2   0.537234D+00  0.308976D+00  0.564862D+00  0.829308D-01  0.756126D+00
      3   0.183680D+00 -0.104020D+01  0.829308D-01  0.149787D+01  0.269709D+01
               191           192           193           194           195 
      1   0.756126D+00  0.269709D+01  0.209514D+01  0.164222D+01  0.191513D+01
      2   0.131287D+01  0.649083D+00  0.164222D+01  0.128221D+01  0.189280D+01
      3   0.649083D+00  0.309641D+01  0.191513D+01  0.189280D+01  0.374412D+01
               196           197           198           199           200 
      1   0.209320D+01  0.813751D+00  0.287974D+01  0.162913D+01 -0.182619D+01
      2   0.813751D+00  0.132458D+01  0.158500D+01 -0.182619D+01  0.240719D+01
      3   0.287974D+01  0.158500D+01  0.540252D+01  0.124568D+01 -0.797351D+00
               201           202           203           204           205 
      1   0.124568D+01 -0.243567D+01  0.329074D+01 -0.109941D+01  0.477706D+00
      2  -0.797351D+00  0.329074D+01 -0.773968D+01  0.292909D+01 -0.252551D+00
      3   0.131510D+01 -0.109941D+01  0.292909D+01 -0.209471D+01  0.854539D+00
               206           207           208           209           210 
      1  -0.252551D+00  0.854539D+00  0.496703D+00  0.472124D+00 -0.822543D+00
      2   0.945851D+00 -0.956721D+00  0.472124D+00  0.431371D+00 -0.543458D-01
      3  -0.956721D+00  0.930285D+00 -0.822543D+00 -0.543458D-01  0.841260D+00
               211           212           213           214           215 
      1   0.123090D+01  0.101720D+01 -0.533907D+00 -0.276390D+01 -0.229746D+00
      2   0.101720D+01  0.359989D+00 -0.103608D+01 -0.229746D+00 -0.128721D+01
      3  -0.533907D+00 -0.103608D+01  0.194770D+01  0.270650D+01  0.150235D+01
               216           217           218           219           220 
      1   0.270650D+01  0.333918D+01 -0.207420D+01  0.181178D+00 -0.521946D+01
      2   0.150235D+01 -0.207420D+01  0.216526D+01  0.138744D+00  0.482833D+01
      3  -0.702139D+01  0.181178D+00  0.138744D+00  0.369264D+00  0.583508D+00
               221           222           223           224           225 
      1   0.482833D+01  0.583508D+00  0.926415D+00  0.367602D-01  0.985544D+00
      2  -0.730510D+01 -0.221074D+00  0.367602D-01  0.173819D+00 -0.604766D+00
      3  -0.221074D+00 -0.101508D+01  0.985544D+00 -0.604766D+00 -0.327488D+00
               226           227           228           229           230 
      1   0.736149D+01  0.189292D+01  0.204461D+01  0.471455D+01  0.289221D+01
      2   0.189292D+01  0.161265D+01  0.774968D+00  0.289221D+01  0.149733D+01
      3   0.204461D+01  0.774968D+00  0.143206D+01  0.116484D+01  0.959257D+00
               231           232           233           234 
      1   0.116484D+01  0.533696D+01  0.126443D+01  0.232603D+01
      2   0.959257D+00  0.126443D+01  0.131814D+01  0.112224D+01
      3   0.151353D+01  0.232603D+01  0.112224D+01  0.165360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.246740D+01 -0.967168D+00 -0.227150D+01 -0.115999D+01  0.753947D+01
      2  -0.313227D+02  0.530567D+00 -0.387136D+01 -0.323877D+01 -0.428382D+01
      3   0.311190D+02 -0.512816D+01  0.176026D+01  0.180277D+02  0.890798D+01
                 6             7             8             9            10 
      1   0.713198D+00  0.969133D+00  0.414880D+01  0.208661D+01  0.154072D+01
      2  -0.247905D+00 -0.218913D+02 -0.179593D+01 -0.541381D+01 -0.324243D+01
      3   0.312068D+01  0.115342D+02 -0.117217D+01  0.585764D+01 -0.689520D+01
                11            12            13            14            15 
      1  -0.330159D+01 -0.612123D+00 -0.769284D+00 -0.821401D+01 -0.456842D+01
      2   0.631110D+01  0.962085D+00 -0.524802D+00  0.163413D+01  0.165899D+01
      3  -0.265218D+01 -0.619439D+01  0.109921D+02 -0.140462D+02  0.320089D+00
                16            17            18            19            20 
      1  -0.177148D+01  0.303270D+01 -0.231383D+01  0.698688D+00  0.173606D+00
      2  -0.455323D+01  0.660501D+01  0.173264D+01  0.258256D+02 -0.328055D+01
      3  -0.130948D+02  0.675166D+00 -0.301055D+01 -0.479309D+02  0.132637D+02
                21            22            23            24            25 
      1   0.448061D+01  0.237164D+01 -0.407066D+01 -0.363331D+01  0.911185D+01
      2  -0.411725D+01 -0.819478D+01  0.488594D+01  0.290632D+01 -0.248391D+02
      3   0.303096D+01  0.248415D+02 -0.725257D+01 -0.360827D+01  0.120502D+02
                26            27            28            29            30 
      1   0.916005D+00 -0.375910D+01  0.476201D+00  0.819061D+00 -0.355406D+01
      2   0.329274D+01  0.871458D+01 -0.255691D+02  0.378636D+01  0.759043D+01
      3  -0.421114D+01 -0.103721D+02  0.432954D+02 -0.176324D+02 -0.600704D+01
                31            32            33            34            35 
      1   0.169106D+01  0.699575D+00  0.185508D+01 -0.739688D+01  0.103200D+02
      2   0.119979D+02 -0.349572D+01 -0.379929D+01  0.308158D+01 -0.286100D+01
      3  -0.186261D+02  0.797418D+01 -0.108224D+01 -0.151379D+02  0.189809D+01
                36            37            38            39            40 
      1   0.388284D+01 -0.659212D+00  0.195787D+00  0.112697D+01  0.841708D+00
      2  -0.619531D+01 -0.267778D+01  0.241224D+01 -0.897623D+01  0.348193D+01
      3   0.821760D+01 -0.236172D+02  0.109147D+01 -0.154725D+01  0.130537D+02
                41            42            43            44            45 
      1   0.311207D+01 -0.282069D+01  0.596486D+01  0.450833D+00 -0.510020D+01
      2  -0.566828D+01  0.571172D+01 -0.329832D+02  0.561646D+01  0.208882D+02
      3   0.226528D+02  0.561638D+01 -0.286738D+01  0.708243D+01 -0.114669D+02
                46            47            48            49            50 
      1   0.341789D+01  0.365471D+00 -0.437548D+01  0.197646D+01 -0.216496D+01
      2   0.677310D+01 -0.168950D+01 -0.409507D+01 -0.150388D+01 -0.421357D+00
      3  -0.101888D+02 -0.616150D+01 -0.497362D+01  0.965153D+01 -0.408230D+01
                51            52            53            54            55 
      1   0.261772D+01 -0.116959D+02  0.121587D+02 -0.217244D+01 -0.214506D+01
      2   0.495733D+01 -0.145123D+02  0.806786D+01 -0.260044D+01 -0.326563D+01
      3   0.267053D+01 -0.706164D+01  0.805153D+01 -0.285262D+01  0.983296D+01
                56            57            58            59            60 
      1  -0.890633D+00  0.251550D+01  0.332028D+00 -0.694388D+01 -0.522892D+01
      2  -0.470203D+00  0.135403D+01 -0.260187D+01  0.132272D+01 -0.680536D+00
      3   0.612897D+01  0.469541D+01  0.118782D+02 -0.546457D+01  0.440178D+00
                61            62            63            64            65 
      1   0.296902D+01  0.272405D+01  0.123759D+02 -0.306951D+00  0.274725D+01
      2  -0.179000D+01 -0.114638D+01  0.281515D+01  0.275404D+02 -0.228870D+01
      3   0.461622D+01 -0.117730D+00 -0.115823D+01 -0.765950D+01 -0.105032D+02
                66            67            68            69            70 
      1   0.209303D+01 -0.481740D+01  0.237751D+01 -0.397996D+01 -0.198449D+01
      2   0.122317D+02  0.631516D+01  0.406136D+01  0.368526D+01  0.971495D+01
      3  -0.254260D+00 -0.149541D+02  0.895365D+01 -0.279337D+01 -0.982772D+01
                71            72            73            74            75 
      1   0.528959D+01 -0.223192D-01 -0.151754D+01 -0.441423D+00  0.138546D+01
      2   0.434935D+01 -0.101277D+01  0.503920D+01 -0.984033D+00  0.102498D+01
      3  -0.173841D+01 -0.610697D+01 -0.412509D+01 -0.112600D+01  0.100822D+01
                76            77            78            79            80 
      1   0.339454D+00  0.147526D+00 -0.785076D+00  0.197319D+01  0.361879D+01
      2  -0.388090D+01 -0.798352D+00 -0.144993D+01 -0.322277D+01 -0.970070D+00
      3   0.721723D+01 -0.537541D+00  0.369537D+00  0.150115D+01  0.182242D+01
                81            82            83            84            85 
      1  -0.239528D+01  0.540670D+00  0.257676D-01 -0.182633D+01  0.462631D+00
      2  -0.239839D+01  0.208130D+01 -0.855010D+00  0.231733D+01 -0.311853D+00
      3  -0.829757D+00  0.128690D+01 -0.208575D+01  0.159967D+00  0.367354D+01
                86            87            88            89            90 
      1  -0.123298D+01 -0.293752D+01 -0.897186D+00  0.758399D+00  0.279854D+01
      2  -0.115634D+01  0.129454D+01 -0.210190D+01  0.490611D-01 -0.212496D+01
      3  -0.396753D+01  0.119089D+01 -0.602820D+00  0.202722D+01  0.390677D-01
                91            92            93            94            95 
      1  -0.776727D+00  0.125143D+01 -0.418806D+00  0.108201D+01  0.618209D+01
      2   0.382121D+00 -0.127718D+01 -0.920571D-01 -0.174646D+01 -0.657027D+00
      3  -0.374105D+00 -0.240165D+00  0.975061D+00  0.468806D+01 -0.750436D+01
                96            97            98            99           100 
      1  -0.426199D+01 -0.382481D+01  0.118043D+01  0.964092D+00 -0.680857D+00
      2   0.149368D+01 -0.235099D+01  0.291863D-01 -0.866012D+00  0.125589D+01
      3  -0.993080D+00  0.584180D+01 -0.984275D+00  0.530616D+00 -0.257050D+01
               101           102           103           104           105 
      1  -0.472271D+00 -0.146041D+00 -0.515502D+00 -0.214481D+01 -0.414770D+01
      2   0.344387D+00  0.146357D+01  0.175936D+00  0.166916D+01  0.435247D+01
      3  -0.225325D+01  0.349531D+00 -0.451118D+01 -0.269948D+02 -0.191231D+01
               106           107           108           109           110 
      1  -0.188959D+00 -0.164850D+00 -0.521510D+00 -0.311808D+00  0.877877D+00
      2   0.139397D+01  0.232391D+01  0.152999D-01  0.825714D+01 -0.219886D+01
      3  -0.203921D+00 -0.340580D+01 -0.179890D+01  0.151938D+02 -0.803300D+01
               111           112           113           114           115 
      1  -0.102179D+01  0.250236D+00 -0.974776D+00 -0.165626D+00 -0.131192D+01
      2   0.928293D+01 -0.340490D+01  0.312384D+01 -0.430771D+01  0.112175D+02
      3   0.429827D+01 -0.846035D+01  0.447340D+01 -0.375098D+01  0.661810D+01
               116           117           118           119           120 
      1   0.158608D+01 -0.699935D+00  0.213493D+01 -0.669810D+00 -0.177897D+01
      2  -0.296437D+01  0.492944D+01 -0.654121D+01 -0.637947D+00  0.805454D+01
      3  -0.603732D+01  0.545321D+01  0.622867D+01 -0.223522D+01 -0.206052D+01
               121           122           123           124           125 
      1  -0.875917D+00  0.103357D+01  0.493900D+00 -0.340030D+01  0.333627D+01
      2   0.195875D+01 -0.269834D+01 -0.394022D+01  0.171301D+02 -0.141030D+01
      3  -0.274529D+01  0.177911D+00  0.298212D+01 -0.418008D+01  0.482099D+01
               126           127           128           129           130 
      1   0.693795D+01 -0.446672D+01  0.102779D+01  0.390803D+01  0.103889D+01
      2  -0.280331D+02 -0.494146D+01  0.297250D+01  0.591065D+01  0.184282D+01
      3   0.643249D+01 -0.373462D+01 -0.456969D+01  0.146567D+01  0.822488D+00
               131           132           133           134           135 
      1  -0.138654D+01 -0.301047D+01  0.500279D+01 -0.148450D+01 -0.449483D+01
      2  -0.264915D+01 -0.344633D+01  0.413615D+01 -0.479495D+01 -0.651223D+01
      3   0.878863D+00  0.838865D+00  0.507326D+01  0.229074D+01  0.190573D+00
               136           137           138           139           140 
      1   0.170743D+01 -0.103453D+01  0.224345D+01 -0.119815D+01  0.210624D+01
      2   0.127259D+01 -0.666401D+00  0.367354D+01 -0.344839D+00  0.314634D+01
      3   0.128578D+01 -0.166943D+01  0.309483D+00 -0.512098D+00  0.681782D+01
               141           142           143           144           145 
      1  -0.472990D+01  0.603881D+01 -0.426322D+01  0.804811D+01 -0.272700D+01
      2  -0.401732D+01  0.403794D+01 -0.592167D+01  0.900062D+01 -0.845284D+00
      3  -0.294197D+01  0.458657D+00 -0.936177D+01  0.316669D+01 -0.126199D+00
               146           147           148           149           150 
      1   0.138361D+01 -0.199041D+01  0.195331D+01 -0.283176D+01  0.241481D+01
      2   0.699638D+00 -0.240189D+00  0.230813D+01 -0.218594D+01  0.119502D+01
      3  -0.275627D+01  0.163062D+01 -0.196348D+01  0.975047D+00  0.599371D-01
               151           152           153           154           155 
      1  -0.222895D+01  0.230647D+01 -0.156456D+02  0.921788D+00  0.373924D+00
      2  -0.433800D+01  0.168142D+00 -0.363189D+01  0.647455D+00 -0.565232D+00
      3   0.445907D+01 -0.641083D+00  0.124430D+01  0.790885D+00  0.123905D+01
               156           157           158           159           160 
      1  -0.601184D+00 -0.106835D+00  0.453630D+01 -0.473556D+01 -0.617432D+00
      2   0.970045D+00 -0.132305D+01 -0.850047D+00 -0.291520D+00 -0.585364D+00
      3  -0.802622D+00  0.739737D+01  0.534984D+01  0.249911D+00 -0.138099D+01
               161           162           163           164           165 
      1  -0.154272D+01 -0.297974D+00 -0.146141D+01 -0.717571D+01 -0.262395D+01
      2  -0.363751D+00 -0.530723D+00 -0.166859D+02 -0.258002D+01  0.687775D+01
      3  -0.718064D+00  0.110846D+01 -0.391920D+01  0.352245D+01  0.410694D+01
               166           167           168           169           170 
      1  -0.107887D+02  0.869002D+01 -0.122245D+02 -0.364334D+01 -0.527589D+01
      2  -0.401111D+01  0.156943D+01 -0.412779D+01 -0.662176D-01 -0.350365D+01
      3   0.105763D+02 -0.697652D+01  0.626844D+01  0.507683D+01  0.443751D+01
               171           172           173           174           175 
      1  -0.646158D+01 -0.114329D+01  0.102389D+01 -0.478158D+00  0.270250D+01
      2   0.193111D+01 -0.145323D+02 -0.377690D+01 -0.618268D+01 -0.530934D+01
      3   0.698575D+01  0.484589D+01  0.138753D+02  0.482849D+01  0.282865D+02
               176           177           178           179           180 
      1  -0.272148D+01 -0.254549D+01 -0.379426D+00  0.108716D+01  0.321600D+01
      2  -0.453413D+01 -0.114385D+02 -0.163726D+02 -0.109581D+02  0.168181D+02
      3  -0.170697D+02  0.121994D+01  0.720525D+01  0.223693D+01  0.116621D+02
               181           182           183           184           185 
      1   0.311360D+00 -0.266855D+01 -0.112153D+01 -0.161400D+01  0.629473D+00
      2   0.195151D+02  0.896041D+00 -0.403773D+01  0.798845D+00  0.204586D+01
      3   0.643502D+01 -0.378573D+00 -0.155420D+01  0.225786D+01  0.723265D+00
               186           187           188           189           190 
      1  -0.181972D+00 -0.819861D+00  0.192485D+01  0.105035D+01  0.380825D+01
      2  -0.444148D+00 -0.619558D+01 -0.481472D+00  0.351956D+01  0.650510D+00
      3  -0.734908D+00 -0.142644D+01  0.623093D-01  0.804977D+00 -0.287579D+01
               191           192           193           194           195 
      1   0.432120D+01  0.353504D+01  0.459945D+01  0.539989D+01  0.518117D+01
      2  -0.294648D+00  0.319373D+01 -0.105654D+01  0.137746D+01  0.478174D+01
      3  -0.399877D+01 -0.315309D+01 -0.300890D+01 -0.407074D+01 -0.463350D+01
               196           197           198           199           200 
      1   0.430122D+01  0.616911D+01  0.722061D+01 -0.225061D+01  0.439484D+01
      2  -0.213460D+01  0.129272D+01  0.599503D+01 -0.383066D+00  0.110916D+01
      3  -0.206154D+01 -0.398419D+01 -0.474165D+01  0.155774D+01 -0.416241D+01
               201           202           203           204           205 
      1   0.965146D+00  0.556329D+01 -0.128201D+02  0.567855D+00 -0.945712D-02
      2   0.192068D+01  0.326191D+01  0.641093D+00 -0.335397D+01 -0.674661D+00
      3   0.794340D+00 -0.838346D+00  0.115442D+02 -0.427831D+01 -0.412072D+00
               206           207           208           209           210 
      1   0.242438D+01 -0.803715D+00 -0.604799D+00 -0.438586D+00  0.356400D+00
      2  -0.634645D+00  0.596122D+00 -0.305055D+01 -0.980092D-03  0.362902D+01
      3  -0.130332D+01  0.797923D+00 -0.171277D+01 -0.208236D+01  0.734538D+00
               211           212           213           214           215 
      1  -0.444257D+00 -0.108533D+01  0.195153D+00  0.743412D+00  0.401464D+01
      2  -0.261706D+00 -0.259140D+01  0.678950D+01  0.382028D+01  0.538873D+01
      3  -0.234264D+01 -0.182808D+01  0.363018D+01  0.107477D+01  0.541077D+01
               216           217           218           219           220 
      1  -0.261485D+01  0.941044D+00 -0.998222D+00  0.854156D+00 -0.120827D+01
      2  -0.232266D+02  0.208847D+01 -0.499436D+00  0.301336D+01 -0.361368D+00
      3  -0.639944D+01  0.583815D+01 -0.871362D+01 -0.694322D+00 -0.119095D+02
               221           222           223           224           225 
      1   0.327080D+01 -0.324618D+01  0.291880D+00  0.456382D+00  0.988093D-01
      2   0.175070D+01 -0.458886D+01  0.239593D+01 -0.151920D+01 -0.768315D+00
      3   0.251105D+02  0.280753D+00 -0.121091D+01 -0.626284D+00  0.135776D+01
               226           227           228           229           230 
      1   0.855928D-01  0.769745D-01 -0.643466D+00 -0.299420D+00  0.161495D+00
      2   0.103216D+02  0.370892D+01  0.871411D+01  0.593479D+01  0.476187D+01
      3  -0.937679D+01 -0.893942D+01 -0.361256D+01 -0.104375D+02 -0.734497D+01
               231           232           233           234 
      1  -0.140756D+01  0.200845D+00  0.102792D+01 -0.670477D+00
      2   0.730749D+01  0.862876D+01  0.474261D+01  0.776660D+01
      3  -0.393727D+01 -0.604140D+01 -0.651456D+01 -0.511203D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216871D+01  0.100735D+01 -0.733586D+01  0.427557D+01 -0.373462D+01
      2   0.100156D+02 -0.266866D+01 -0.141171D+01 -0.224043D+01  0.600560D+01
      3  -0.121843D+02  0.166131D+01  0.874757D+01 -0.203514D+01 -0.227098D+01
      4   0.140053D+02  0.245379D+01 -0.229700D+01 -0.212198D+01 -0.956339D+00
      5   0.894408D+00 -0.366106D+01 -0.106720D+02  0.249668D+01 -0.175744D+01
      6  -0.509880D+00 -0.156706D+01  0.134923D+01  0.307165D+00  0.808371D+01
                 6             7             8             9            10 
      1   0.524152D+01 -0.239588D+02  0.531940D+00  0.875129D+01 -0.774998D+01
      2   0.698703D-01  0.116213D+01  0.361717D+01  0.744605D+01  0.523088D+01
      3  -0.531139D+01  0.227967D+02 -0.414911D+01 -0.161973D+02  0.251909D+01
      4  -0.148280D+01 -0.605133D+01  0.408364D+01  0.757428D+01  0.473665D+01
      5   0.225015D+01 -0.149410D+02  0.542850D+01  0.126687D+02  0.595448D-01
      6  -0.169494D+01  0.838240D+01 -0.178963D+01 -0.942012D+01  0.410976D+01
                11            12            13            14            15 
      1   0.755328D+01 -0.519776D+01  0.748875D+01 -0.112306D+02 -0.122946D+01
      2   0.551930D+00  0.550882D+01 -0.275220D+01  0.128981D+02  0.387779D+01
      3  -0.810521D+01 -0.311056D+00 -0.473655D+01 -0.166749D+01 -0.264834D+01
      4  -0.524094D+01  0.813598D+01 -0.780565D+01  0.200474D+01  0.725673D+01
      5   0.785233D+01 -0.491313D+01  0.170698D+01  0.474883D+01 -0.342795D+01
      6   0.466582D+01 -0.541011D+01  0.700764D+01  0.404831D+01 -0.379317D+01
                16            17            18            19            20 
      1  -0.817730D+01  0.728902D+01 -0.236301D+01 -0.517318D+02  0.148453D+02
      2   0.648424D+01 -0.200092D+01  0.142872D+01  0.199581D+02 -0.113665D+02
      3   0.169306D+01 -0.528810D+01  0.934287D+00  0.317737D+02 -0.347885D+01
      4   0.127263D+02  0.570674D+01 -0.391562D+01 -0.134132D+02 -0.827034D+01
      5  -0.554817D+01 -0.305883D+01  0.423804D+01 -0.149268D+01  0.146058D+01
      6  -0.554760D+01 -0.583442D+01  0.749868D+01  0.540404D+01 -0.152365D+01
                21            22            23            24            25 
      1   0.467928D+01  0.294135D+02  0.357338D+01 -0.388854D+01  0.185872D+02
      2   0.413121D-01 -0.233859D+02 -0.191530D+02 -0.345897D+01 -0.704488D+00
      3  -0.472059D+01 -0.602765D+01  0.155796D+02  0.734752D+01 -0.178827D+02
      4   0.181902D+01 -0.128994D+01 -0.111656D+02 -0.111702D+01  0.329221D+01
      5  -0.327953D+01 -0.519344D+01 -0.237431D+01  0.369700D+01  0.251514D+01
      6  -0.569524D+01 -0.563815D+01 -0.763791D+01  0.676905D+01 -0.118471D+02
                26            27            28            29            30 
      1  -0.405045D+01 -0.246256D+02  0.680074D+02 -0.257118D+02 -0.148017D+02
      2  -0.545096D+01  0.369356D+00 -0.358510D+02  0.127655D+02  0.316735D+01
      3   0.950141D+01  0.242562D+02 -0.321564D+02  0.129463D+02  0.116343D+02
      4   0.473713D+01  0.268341D+01  0.682349D+00  0.566869D+01  0.185667D+01
      5   0.404482D+01  0.105981D+02 -0.147656D+01  0.391008D+01  0.122145D+02
      6   0.134279D+02  0.130380D+02 -0.468461D+01  0.745344D+01  0.604263D+01
                31            32            33            34            35 
      1  -0.261617D+02  0.958510D+01  0.359298D+01 -0.147260D+02  0.593171D+01
      2   0.108763D+02  0.473371D+01  0.138075D+01  0.470368D+01 -0.214780D+01
      3   0.152855D+02 -0.143188D+02 -0.497373D+01  0.100223D+02 -0.378391D+01
      4   0.136670D+02  0.247162D+01 -0.292947D+00  0.142613D+01  0.125674D+01
      5  -0.960559D+00  0.302311D+01 -0.601156D+01  0.243770D+02 -0.481451D+01
      6   0.647929D+01 -0.570207D+01 -0.392028D+01  0.597057D+01  0.267367D+01
                36            37            38            39            40 
      1   0.112790D+02 -0.599458D+02  0.241519D+02 -0.106507D+02  0.335463D+02
      2  -0.116263D+02  0.373626D+02 -0.133110D+02  0.286986D+01 -0.245031D+02
      3   0.347240D+00  0.225832D+02 -0.108408D+02  0.778079D+01 -0.904317D+01
      4  -0.618116D+00  0.129576D+02  0.337170D+01  0.374775D+01 -0.519049D+01
      5  -0.494644D+01 -0.139018D+02  0.391261D+01 -0.208991D+02  0.530504D+01
      6  -0.655429D+01  0.753820D+00 -0.112752D+00 -0.258471D+01 -0.103016D+01
                41            42            43            44            45 
      1   0.727351D+01  0.762920D+01 -0.183528D+02  0.721591D+01 -0.289802D+02
      2  -0.207028D+02 -0.501470D+01  0.103839D+01 -0.619751D+01  0.270119D+02
      3   0.134293D+02 -0.261451D+01  0.173144D+02 -0.101840D+01  0.196829D+01
      4  -0.384332D+02 -0.841233D+01  0.279393D+01 -0.968743D+01  0.367385D+01
      5  -0.105361D+02  0.111526D+02 -0.508786D+02  0.106084D+02  0.360498D+02
      6  -0.263707D+01  0.276715D+01 -0.737270D+01  0.201845D+01  0.718679D+01
                46            47            48            49            50 
      1   0.842853D+01  0.744185D+01  0.884909D+01  0.684459D+01 -0.125827D+02
      2  -0.559222D+01 -0.343527D+01 -0.405313D+01 -0.829120D+00  0.923810D+01
      3  -0.283631D+01 -0.400658D+01 -0.479596D+01 -0.601547D+01  0.334460D+01
      4   0.147682D+02 -0.148964D+02 -0.704893D+01 -0.250958D+02  0.640274D+01
      5   0.111803D+02 -0.503589D+01 -0.133306D+02  0.111797D+01 -0.394927D+01
      6  -0.924327D+01 -0.305266D+01  0.103702D+02 -0.571132D+01  0.951568D+01
                51            52            53            54            55 
      1  -0.971406D+00  0.827671D+01 -0.491530D+01 -0.591692D+01 -0.116078D+02
      2   0.231993D+01 -0.448507D+01  0.455721D+01  0.578768D+00  0.902522D+01
      3  -0.134853D+01 -0.379164D+01  0.358094D+00  0.533815D+01  0.258258D+01
      4  -0.189877D+01 -0.857003D+00 -0.989227D+01  0.226755D+02  0.930868D+00
      5   0.113188D+02 -0.248717D+02  0.198657D+02 -0.596233D+01 -0.118685D+01
      6  -0.113950D+02  0.203981D+02 -0.223477D+02  0.974194D+01  0.765560D+01
                56            57            58            59            60 
      1   0.218964D+01 -0.998604D+00 -0.239286D+01  0.292725D+02 -0.140471D+01
      2  -0.640653D+01  0.106037D+01 -0.358535D+00 -0.493531D+02 -0.162594D+01
      3   0.421689D+01 -0.617622D-01  0.275139D+01  0.200806D+02  0.303065D+01
      4   0.133687D+00  0.321909D+01  0.674182D+01  0.421196D+01 -0.784770D+00
      5   0.198709D+01 -0.263472D+00 -0.957932D+00 -0.142215D+01 -0.793920D-01
      6   0.825271D-01 -0.211625D+01 -0.525813D+00 -0.344753D+01  0.461711D+01
                61            62            63            64            65 
      1  -0.102468D+01 -0.202255D+01  0.111023D+02  0.339512D+01 -0.349732D+01
      2   0.816868D+00  0.623121D+01  0.701128D+01 -0.839514D+01  0.146412D+00
      3   0.207812D+00 -0.420866D+01 -0.181136D+02  0.500003D+01  0.335090D+01
      4  -0.427024D+00  0.593291D+00 -0.518279D+01 -0.781397D+01  0.828352D+01
      5   0.461810D+01 -0.185470D+01  0.663664D+00  0.183220D+02 -0.150565D+01
      6  -0.362277D+01  0.368482D+01 -0.165405D+02 -0.481523D+01  0.317734D+01
                66            67            68            69            70 
      1   0.170394D+02 -0.470428D+01  0.154000D+02 -0.123419D+01  0.238703D+02
      2  -0.106547D+02  0.759878D+00 -0.625723D+01 -0.113994D+01 -0.140114D+02
      3  -0.638471D+01  0.394440D+01 -0.914273D+01  0.237413D+01 -0.985889D+01
      4  -0.352752D+01  0.194569D+02 -0.162323D+02  0.330658D+01 -0.510480D+01
      5   0.103382D+02 -0.390060D-01  0.496682D+01  0.522545D+01  0.174883D+02
      6   0.831440D+00  0.479725D+00 -0.425112D+01  0.194022D+01 -0.281174D+01
                71            72            73            74            75 
      1  -0.173162D+01  0.558857D+01 -0.150060D+01 -0.445172D-01  0.409291D+01
      2  -0.135136D+01 -0.770790D+01 -0.541765D+01  0.145080D+01  0.424719D+01
      3   0.308298D+01  0.211933D+01  0.691825D+01 -0.140628D+01 -0.834010D+01
      4   0.194646D+01  0.352917D+01 -0.629297D+01  0.483170D+01  0.382082D+01
      5   0.489764D+01 -0.647679D+01 -0.825941D+01  0.355243D+01  0.129604D+02
      6   0.293878D+01  0.205128D+01  0.448867D+01 -0.239595D+01 -0.402586D+01
                76            77            78            79            80 
      1   0.416300D+01 -0.675435D+01 -0.716840D+01  0.591830D+01 -0.740119D+01
      2  -0.737329D+00  0.136273D+01 -0.470150D+00  0.600917D+01 -0.241756D+01
      3  -0.342567D+01  0.539162D+01  0.763855D+01 -0.119275D+02  0.981875D+01
      4   0.428195D+01 -0.196336D+01 -0.388386D+01  0.506314D+01 -0.419153D+01
      5   0.374900D+01 -0.392070D+01 -0.464958D+01  0.139959D+02 -0.615218D+01
      6  -0.266880D+01  0.567736D+01  0.100846D+02 -0.452129D+01  0.101970D+02
                81            82            83            84            85 
      1  -0.259723D+02  0.593664D+01 -0.154205D+01  0.801234D+00 -0.106663D+01
      2  -0.145040D+02 -0.192503D+01  0.278036D+01 -0.451242D+00  0.297252D+01
      3   0.404762D+02 -0.401161D+01 -0.123831D+01 -0.349992D+00 -0.190589D+01
      4  -0.760898D+01  0.110940D+02  0.124619D+02 -0.827908D+01  0.111231D+02
      5  -0.194335D+02 -0.701341D+01 -0.679546D+01  0.879367D+01 -0.562816D+01
      6   0.166774D+02 -0.769851D+01 -0.688407D+01  0.678793D+01 -0.708613D+01
                86            87            88            89            90 
      1  -0.107573D+02  0.503553D+01  0.779972D-01  0.490502D+01 -0.658223D+01
      2   0.138063D+02 -0.494887D+01 -0.593507D-01 -0.460303D+01  0.358061D+00
      3  -0.304908D+01 -0.866551D-01 -0.186465D-01 -0.301991D+00  0.622417D+01
      4   0.160996D+02 -0.941634D+01 -0.882710D+01 -0.100013D+02  0.992222D+01
      5  -0.757113D+01  0.603416D+01  0.780099D+01  0.733344D+01 -0.931385D+01
      6  -0.149490D+02  0.130069D+02  0.766456D+01  0.134760D+02 -0.135880D+02
                91            92            93            94            95 
      1  -0.256384D+01  0.519945D+00  0.190392D+01  0.142893D+01 -0.326813D+02
      2   0.398544D+01  0.327353D+01 -0.646024D+00  0.227744D+01  0.477589D+02
      3  -0.142159D+01 -0.379347D+01 -0.125790D+01 -0.370637D+01 -0.150777D+02
      4   0.286052D+01  0.100354D+02  0.127480D+01  0.910006D+01  0.198357D+02
      5   0.112561D+01  0.166494D+01  0.166650D+01  0.227424D+01  0.515177D+01
      6   0.368117D+01  0.870640D-02 -0.124691D-01  0.126314D+01  0.159492D+02
                96            97            98            99           100 
      1  -0.680081D+01  0.362789D+01 -0.378894D+01 -0.797662D+00  0.454666D+01
      2   0.657058D+01 -0.337867D+01  0.429518D+01  0.270448D+01  0.455717D+00
      3   0.230235D+00 -0.249227D+00 -0.506239D+00 -0.190682D+01 -0.500238D+01
      4   0.327668D+01  0.140230D+01 -0.194430D+00  0.845052D+00  0.565164D+01
      5   0.323535D+01  0.234295D+01  0.106050D+01 -0.436764D+00  0.235103D+01
      6   0.946157D+01  0.329874D+01  0.460075D+01  0.134050D+01  0.716748D+00
               101           102           103           104           105 
      1   0.516906D+01  0.239372D+01  0.106561D+02 -0.682735D+01 -0.855119D+00
      2  -0.168348D+01 -0.967913D+00  0.368858D+01  0.308108D+02  0.187425D+01
      3  -0.348558D+01 -0.142580D+01 -0.143446D+02 -0.239834D+02 -0.101914D+01
      4   0.880173D+01  0.788479D+00  0.271941D+02  0.561007D+02  0.361090D+01
      5   0.150863D+00  0.299468D+01  0.745978D+00  0.459699D+01  0.824066D+01
      6   0.129614D+00  0.230839D+00  0.435750D+00  0.121236D+00  0.677226D+01
               106           107           108           109           110 
      1   0.473762D+01 -0.975728D+00  0.348789D+00  0.845617D+02 -0.121901D+02
      2  -0.101887D+01  0.280758D+01  0.390543D+00 -0.460558D+02  0.798234D+01
      3  -0.371875D+01 -0.183185D+01 -0.739333D+00 -0.385059D+02  0.420777D+01
      4   0.358109D+01  0.740776D+01  0.544714D+01 -0.121651D+01  0.106523D+02
      5   0.676718D+01  0.525386D+01  0.192473D+00  0.258808D+02 -0.501672D+01
      6   0.222111D+01  0.635407D+01  0.151022D+01  0.992058D+00 -0.293518D+00
               111           112           113           114           115 
      1   0.188278D+02 -0.355381D+02  0.101252D+02 -0.593483D+01  0.403118D+02
      2  -0.108157D+02  0.202389D+02 -0.419985D+01  0.415297D+01 -0.222844D+02
      3  -0.801208D+01  0.152992D+02 -0.592535D+01  0.178187D+01 -0.180273D+02
      4  -0.252151D+01  0.108960D+02 -0.594642D+01  0.601672D+01 -0.115592D+01
      5   0.181675D+02 -0.931085D+01  0.724113D+01 -0.829522D+01  0.311483D+02
      6   0.219948D+01  0.148484D+01 -0.395142D+00  0.623978D+00  0.263516D+01
               116           117           118           119           120 
      1  -0.562068D+01  0.184314D+02  0.268091D+02 -0.235869D+01 -0.107026D+02
      2   0.476186D+01 -0.146520D+02 -0.182762D+02  0.170827D+01  0.859175D+01
      3   0.858817D+00 -0.377940D+01 -0.853294D+01  0.650420D+00  0.211089D+01
      4   0.869761D+01 -0.271967D+01  0.346447D+01  0.347768D+01 -0.241832D+01
      5  -0.619432D+01  0.125193D+02 -0.149230D+02 -0.370290D+00  0.191951D+02
      6   0.120465D+01  0.611010D-01 -0.294745D+01 -0.728093D+00  0.324645D+01
               121           122           123           124           125 
      1  -0.133935D+02  0.118757D+01  0.227183D+01 -0.247109D+02 -0.167951D+01
      2   0.982737D+01 -0.325721D+00 -0.382628D+01  0.224072D+02 -0.111104D+01
      3   0.356612D+01 -0.861852D+00  0.155445D+01  0.230373D+01  0.279055D+01
      4   0.556678D+01  0.145035D+01 -0.551590D+01 -0.898874D+01 -0.946545D+01
      5   0.449619D+01 -0.556270D+01 -0.715423D+01  0.432049D+02 -0.245632D+01
      6  -0.165516D+01  0.299176D-01  0.295887D+01  0.761891D+01  0.423505D+01
               126           127           128           129           130 
      1   0.151790D+02  0.214985D+02 -0.634979D+01 -0.908313D+01 -0.458084D+01
      2  -0.258822D+02 -0.885218D+01 -0.190582D+00  0.458850D+01 -0.189474D+01
      3   0.107033D+02 -0.126464D+02  0.654037D+01  0.449463D+01  0.647558D+01
      4   0.181773D+01 -0.227322D+02  0.174860D+02  0.976605D+01  0.153852D+02
      5  -0.546728D+02 -0.170245D+02  0.687625D+01  0.130619D+02  0.546998D+01
      6  -0.113567D+02  0.894976D+01 -0.459641D+01 -0.709192D+01 -0.460911D+01
               131           132           133           134           135 
      1   0.125841D+01  0.296648D+00 -0.123305D+02  0.794600D+00  0.350245D+01
      2   0.439564D+01  0.201142D+01  0.696906D+01  0.193003D+01 -0.420549D+01
      3  -0.565405D+01 -0.230806D+01  0.536144D+01 -0.272463D+01  0.703034D+00
      4  -0.136843D+02 -0.739640D+01  0.148319D+02 -0.121761D+02 -0.139029D+02
      5  -0.671162D+01 -0.662650D+01  0.184687D+02 -0.114365D+02 -0.152808D+02
      6   0.583821D+01  0.740022D+01 -0.111491D+02  0.106885D+02  0.928775D+01
               136           137           138           139           140 
      1   0.609876D+01 -0.479547D+01  0.288655D+01 -0.131787D+01 -0.502474D+01
      2  -0.222321D+01  0.791145D+00 -0.201150D+01 -0.284513D+01  0.964343D+01
      3  -0.387554D+01  0.400432D+01 -0.875051D+00  0.416300D+01 -0.461869D+01
      4  -0.132594D+02  0.128043D+02 -0.560706D+01  0.141236D+02 -0.162050D+02
      5   0.739477D+01 -0.469994D+01  0.965070D+01 -0.520124D+01  0.976903D+01
      6  -0.592189D+01  0.443376D+01 -0.541370D+01  0.698811D+01 -0.133522D+02
               141           142           143           144           145 
      1   0.276046D+01  0.463420D+01  0.529872D+01 -0.243263D+01  0.737218D+00
      2  -0.430516D+01 -0.231463D+01 -0.675050D+01 -0.285184D+01 -0.385985D+01
      3   0.154470D+01 -0.231957D+01  0.145178D+01  0.528447D+01  0.312263D+01
      4   0.102185D+02 -0.151337D+02  0.198526D+02 -0.173603D+02  0.257815D+00
      5  -0.839792D+01  0.179242D+02 -0.156859D+02  0.206756D+02  0.130139D+01
      6   0.132178D+02 -0.150762D+02  0.208871D+02 -0.217153D+02  0.421142D+00
               146           147           148           149           150 
      1  -0.104360D+01 -0.763758D+00  0.117997D+00 -0.392139D+01 -0.863586D+00
      2   0.188385D+01 -0.683667D+00  0.152026D+01  0.279717D+01  0.398793D+01
      3  -0.840253D+00  0.144743D+01 -0.163826D+01  0.112423D+01 -0.312435D+01
      4   0.260485D+01  0.150455D+01 -0.221212D-01  0.120021D+00  0.149681D+00
      5  -0.679670D+00  0.575440D+01 -0.613961D+00  0.880121D+00 -0.239452D+00
      6   0.157732D+01  0.131105D+01  0.100989D+01  0.149399D+01  0.229529D+01
               151           152           153           154           155 
      1  -0.654400D+00 -0.733619D+01 -0.193113D+02 -0.128224D+01 -0.326403D+01
      2  -0.149947D+01  0.528481D+01 -0.887462D+01  0.606797D+01  0.480455D+01
      3   0.215387D+01  0.205137D+01  0.281859D+02 -0.478573D+01 -0.154052D+01
      4   0.353481D+01  0.410359D+00  0.244033D+01  0.130608D+00  0.101024D+02
      5   0.393851D+01 -0.629075D+00 -0.693928D+00  0.258350D+00  0.869859D+00
      6   0.117853D+01  0.895654D+01  0.227518D+02 -0.532701D+00  0.465216D+00
               156           157           158           159           160 
      1  -0.433281D+00 -0.157815D+01 -0.471569D+02 -0.276198D+01 -0.370101D-01
      2  -0.624273D-01  0.149225D+01  0.785662D+02  0.296958D+01  0.209373D+00
      3   0.495708D+00  0.858944D-01 -0.314093D+02 -0.207600D+00 -0.172362D+00
      4  -0.183058D+00  0.772812D+01 -0.294635D+01 -0.516299D-01 -0.930993D+00
      5   0.158519D+01  0.330289D+00  0.759485D+00 -0.274746D+00  0.528520D+00
      6   0.864263D+00  0.326796D+00  0.705880D+01  0.810730D+01  0.628783D+00
               161           162           163           164           165 
      1   0.297715D+01 -0.592105D+01  0.210636D+02 -0.216862D+01 -0.588306D+01
      2  -0.564327D+01  0.553180D+01 -0.388594D+01  0.104163D+02  0.880572D+01
      3   0.266613D+01  0.389250D+00 -0.171776D+02 -0.824769D+01 -0.292266D+01
      4   0.846720D+00 -0.766720D-01 -0.533161D+01 -0.101719D+02  0.480007D+00
      5  -0.561285D+00  0.322732D-01 -0.334452D+01 -0.147544D+01 -0.152311D+02
      6   0.905567D+01  0.915605D+00  0.203203D+01 -0.115218D+02 -0.389358D+01
               166           167           168           169           170 
      1  -0.234872D+01 -0.135441D+01 -0.331490D+00 -0.733316D+01  0.111736D+01
      2   0.154233D+02 -0.645348D+01  0.157656D+02  0.105982D+02  0.116558D+02
      3  -0.130746D+02  0.780790D+01 -0.154342D+02 -0.326501D+01 -0.127731D+02
      4  -0.178662D+02  0.238282D+02 -0.132331D+02  0.433437D+00 -0.729114D+01
      5  -0.360681D+01 -0.199109D+02 -0.147732D+02 -0.219400D+02 -0.114163D+02
      6  -0.161495D+02  0.174464D+02 -0.963789D+01 -0.480912D+01 -0.600153D+01
               171           172           173           174           175 
      1  -0.117406D+02 -0.241438D+01 -0.107530D+02 -0.251171D+02 -0.168567D+02
      2   0.908094D+01 -0.276524D+01  0.985285D+01  0.115045D+02  0.167659D+02
      3   0.265969D+01  0.517962D+01  0.900169D+00  0.136126D+02  0.907979D-01
      4  -0.863020D+01 -0.978776D+01 -0.270412D+02 -0.676690D+01 -0.442552D+02
      5  -0.772385D+01 -0.274365D+02 -0.691006D+01 -0.930038D+01 -0.110566D+02
      6  -0.137806D+02  0.200090D+00  0.228987D+01 -0.409081D+00  0.334089D+01
               176           177           178           179           180 
      1  -0.257192D+02 -0.104044D+02 -0.318348D+02 -0.106727D+02 -0.798813D+01
      2   0.405252D+01  0.244796D+01  0.116582D+02  0.196489D+01  0.135150D+02
      3   0.216666D+02  0.795643D+01  0.201766D+02  0.870784D+01 -0.552686D+01
      4   0.361675D+02 -0.287639D+01 -0.111957D+02 -0.466574D+01 -0.191173D+02
      5  -0.122051D+01 -0.186723D+02 -0.157711D+02 -0.185331D+02  0.294753D+02
      6  -0.446622D+01 -0.966727D+00 -0.169947D+01  0.174399D+01  0.148546D+01
               181           182           183           184           185 
      1  -0.138488D+02 -0.223720D+01  0.111457D+02 -0.449498D+00 -0.325112D+01
      2   0.428426D+01 -0.192538D+00  0.139492D+01 -0.155544D+01  0.328963D+01
      3   0.956459D+01  0.242974D+01 -0.125406D+02  0.200494D+01 -0.385125D-01
      4   0.782827D+01  0.113218D+01 -0.832657D+00  0.370776D+01 -0.133382D+01
      5  -0.122675D+02  0.339635D+00  0.248563D+01  0.568124D-01  0.508883D+00
      6  -0.170948D+01 -0.418831D+01  0.535530D+01 -0.122311D+01 -0.222529D+01
               186           187           188           189           190 
      1   0.175033D+01  0.668483D+01  0.156148D+01 -0.635325D+01  0.740272D+01
      2  -0.250879D+01  0.440036D+00 -0.132940D+01 -0.311723D+01 -0.119353D+02
      3   0.758460D+00 -0.712487D+01 -0.232075D+00  0.947048D+01  0.453258D+01
      4   0.885927D+00 -0.125459D+01 -0.595705D+00  0.244394D+01  0.412298D+01
      5   0.241776D+01  0.711401D+01  0.163341D+01 -0.291483D+01  0.190949D+02
      6   0.326767D+01  0.284485D+01  0.302073D+01 -0.155599D+01  0.337319D+01
               191           192           193           194           195 
      1   0.307182D+01  0.279658D+01  0.493158D+01 -0.402505D+00 -0.306545D+01
      2  -0.532037D+01 -0.124663D+02 -0.952686D+01 -0.263783D+01 -0.117687D+02
      3   0.224855D+01  0.966976D+01  0.459528D+01  0.304034D+01  0.148341D+02
      4   0.655702D+01  0.257919D+01  0.807767D+01  0.532163D+01  0.775448D+01
      5   0.553517D+01  0.213377D+02  0.136149D+02  0.107128D+02  0.182092D+02
      6   0.606559D+01  0.311974D+01  0.756590D+01  0.735598D+01  0.100285D+02
               196           197           198           199           200 
      1   0.285673D+01 -0.143275D+01 -0.670048D+01  0.408816D+01 -0.294663D+01
      2  -0.125163D+02 -0.638631D+01 -0.202673D+02 -0.171286D+00 -0.347172D+01
      3   0.965960D+01  0.781907D+01  0.269678D+02 -0.391687D+01  0.641835D+01
      4   0.258392D+01  0.559883D+01  0.570188D+01 -0.116264D+02  0.151160D+02
      5   0.202646D+02  0.813700D+01  0.276126D+02  0.828315D+01 -0.720544D+01
      6   0.398251D+01  0.797879D+01  0.766548D+01 -0.641645D+01  0.934539D+01
               201           202           203           204           205 
      1   0.279689D-01 -0.254840D+01 -0.111026D+02  0.705025D+01 -0.664627D+00
      2  -0.184725D+01 -0.551323D+01  0.234418D+02 -0.480287D+01 -0.175715D+01
      3   0.181929D+01  0.806163D+01 -0.123392D+02 -0.224738D+01  0.242177D+01
      4  -0.496463D+01  0.189623D+02 -0.319901D+02  0.113561D+02 -0.151353D+01
      5   0.895802D+01 -0.959876D+01  0.149596D+02 -0.944995D+01  0.600421D+01
      6  -0.427246D+01  0.120118D+02 -0.283565D+02  0.163702D+02 -0.314808D+01
               206           207           208           209           210 
      1   0.368841D+01 -0.244141D+01  0.490697D+01  0.330161D+01 -0.529164D+01
      2  -0.939172D+00 -0.599950D-01 -0.488260D+01 -0.226525D+01  0.439309D+01
      3  -0.274924D+01  0.250140D+01 -0.243722D-01 -0.103636D+01  0.898558D+00
      4   0.379891D+01 -0.426372D+01  0.318958D+01  0.409833D+01 -0.107071D+01
      5  -0.430425D+01  0.535846D+01 -0.640311D+01 -0.160119D+01  0.107993D+02
      6   0.984811D+01 -0.535414D+01 -0.839255D+00 -0.441311D+00  0.194885D+00
               211           212           213           214           215 
      1   0.748316D+01  0.214950D+01  0.657379D+00 -0.135841D+02  0.132455D+01
      2  -0.543327D+01 -0.107416D+01  0.286556D+01  0.122625D+02  0.221470D+01
      3  -0.204989D+01 -0.107534D+01 -0.352294D+01  0.132154D+01 -0.353925D+01
      4   0.824567D+01  0.231079D+01 -0.664809D+01 -0.168322D+01 -0.915502D+01
      5  -0.468182D+01 -0.642159D+01  0.129875D+02  0.231475D+02  0.979360D+01
      6  -0.172192D+01 -0.218123D+01  0.470632D+01  0.612431D+00  0.492229D+01
               216           217           218           219           220 
      1   0.136688D+01  0.218658D+02 -0.123923D+02  0.133884D+01 -0.259184D+02
      2  -0.184117D+02 -0.647620D+01  0.264316D+01 -0.571505D+00  0.397690D+01
      3   0.170448D+02 -0.153896D+02  0.974911D+01 -0.767331D+00  0.219415D+02
      4   0.100087D+02 -0.179189D+02  0.217555D+02  0.141238D+01  0.401351D+02
      5  -0.465505D+02 -0.424199D+00  0.232228D+01  0.508399D+01  0.615167D+01
      6  -0.162826D+01  0.172995D+01 -0.206695D+01 -0.877848D+00 -0.418718D+01
               221           222           223           224           225 
      1   0.131845D+02  0.221902D+01  0.524686D+01  0.617546D+00  0.285827D+01
      2   0.105634D+02 -0.167571D+01 -0.156502D+01 -0.809146D+00 -0.135352D+01
      3  -0.237480D+02 -0.543304D+00 -0.368184D+01  0.191600D+00 -0.150475D+01
      4  -0.539162D+02 -0.149349D+01  0.178383D+00  0.136719D+01 -0.415653D+01
      5  -0.274156D+01 -0.856188D+01  0.841034D+01 -0.461046D+01 -0.251906D+01
      6   0.665280D+01  0.587429D+01 -0.260581D+01  0.486448D+01  0.418860D-01
               226           227           228           229           230 
      1   0.558973D+02  0.151071D+02  0.157247D+02  0.319743D+02  0.145657D+02
      2  -0.272047D+02 -0.727099D+01 -0.765451D+01 -0.151805D+02 -0.335591D+01
      3  -0.286926D+02 -0.783612D+01 -0.807018D+01 -0.167938D+02 -0.112098D+02
      4   0.175099D+02  0.161802D+02  0.652263D+01  0.253300D+02  0.132453D+02
      5   0.161940D+02  0.593276D+01  0.139722D+02  0.933342D+01  0.678144D+01
      6   0.810713D+00 -0.322076D+00 -0.100218D+00  0.691758D+00  0.173982D+01
               231           232           233           234 
      1   0.746918D+01  0.344346D+02  0.743418D+01  0.122985D+02
      2  -0.286814D+01 -0.172884D+02 -0.312246D+01 -0.933314D+01
      3  -0.460105D+01 -0.171462D+02 -0.431172D+01 -0.296539D+01
      4   0.785785D+01  0.112761D+02  0.110122D+02  0.878961D+01
      5   0.118452D+02  0.199669D+02  0.844864D+01  0.140274D+02
      6   0.226898D+01  0.157218D+01  0.158407D+01  0.165001D+01
 Leave Link  716 at Thu Jul  8 22:50:34 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146076D+03 -0.520217D+01 -0.281368D+01
      2  -0.520217D+01  0.112388D+03  0.141005D+01
      3  -0.281368D+01  0.141005D+01  0.101130D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.469348D+01  0.263688D+00  0.204103D+01
      2   0.267930D+02 -0.567673D+01  0.886158D+01
      3  -0.193982D+02  0.100888D+02  0.832936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.408677D+02 -0.110377D+02  0.980880D+01
      2   0.570100D+01  0.984879D+01 -0.184109D+02
      3   0.351667D+02  0.118894D+01  0.860208D+01
      4  -0.343696D+02 -0.208969D+02 -0.895937D+01
      5   0.177932D+02 -0.115599D+02  0.310205D+02
      6   0.414990D+01 -0.266852D+01 -0.885528D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.227775D+02 -0.571476D+00 -0.147870D+01 -0.267732D+01 -0.177857D+01
      2  -0.571476D+00  0.429414D+00 -0.203492D+00 -0.177857D+01 -0.619047D+01
      3  -0.147870D+01 -0.203492D+00 -0.410228D+01  0.478972D+00 -0.130516D+01
                 6             7             8             9            10 
      1   0.478972D+00 -0.576554D+01 -0.225875D+01 -0.554808D+01 -0.282263D+01
      2  -0.130516D+01 -0.225875D+01  0.341339D+00  0.135139D+01  0.234608D+01
      3   0.705123D+00 -0.554808D+01  0.135139D+01  0.281463D+01 -0.253183D+00
                11            12            13            14            15 
      1   0.234608D+01 -0.253183D+00 -0.327860D+00 -0.213977D+01  0.804737D+00
      2  -0.111645D+01  0.300370D+01 -0.213977D+01  0.592469D+01  0.146099D+01
      3   0.300370D+01 -0.184368D+01  0.804737D+00  0.146099D+01  0.435606D+00
                16            17            18            19            20 
      1  -0.122612D+01  0.449862D+01 -0.109120D+01  0.267346D+02 -0.441344D+01
      2   0.449862D+01  0.224587D+01  0.169353D+00 -0.441344D+01  0.472757D+01
      3  -0.109120D+01  0.169353D+00  0.131993D+01 -0.235269D+01 -0.124261D+00
                21            22            23            24            25 
      1  -0.235269D+01 -0.689524D+01  0.473180D+01  0.860251D+00 -0.654371D+01
      2  -0.124261D+00  0.473180D+01  0.354041D+01  0.175522D+00  0.181087D-01
      3   0.222355D+01  0.860251D+00  0.175522D+00 -0.279136D+01  0.404165D+01
                26            27            28            29            30 
      1   0.181087D-01  0.404165D+01 -0.225143D+02  0.524361D+01  0.271491D+01
      2  -0.661328D+00 -0.314464D+01  0.524361D+01 -0.385822D+01 -0.902732D+00
      3  -0.314464D+01 -0.452090D+01  0.271491D+01 -0.902732D+00 -0.366880D+01
                31            32            33            34            35 
      1   0.105129D+02 -0.628855D+01 -0.752625D+00  0.696942D+01 -0.143339D+01
      2  -0.628855D+01  0.126868D+01  0.130139D+00 -0.143339D+01  0.102340D+01
      3  -0.752625D+00  0.130139D+00  0.233688D+01 -0.495536D+01  0.102711D+01
                36            37            38            39            40 
      1  -0.495536D+01  0.114445D+02 -0.326882D+01  0.826893D-01 -0.358888D+01
      2   0.102711D+01 -0.326882D+01 -0.330289D+00 -0.446781D+00  0.133459D+01
      3   0.250110D+01  0.826893D-01 -0.446781D+00  0.267033D+01 -0.465855D+00
                41            42            43            44            45 
      1   0.133459D+01 -0.465855D+00 -0.156813D+00 -0.149041D+00  0.635487D+01
      2   0.627937D+01  0.137016D+01 -0.149041D+00  0.171432D+01 -0.132051D+01
      3   0.137016D+01 -0.154835D+01  0.635487D+01 -0.132051D+01 -0.500116D+01
                46            47            48            49            50 
      1  -0.106913D+01 -0.339881D+01 -0.206409D+01 -0.512635D+01  0.483024D+01
      2  -0.339881D+01  0.179712D+01  0.828661D-01  0.483024D+01 -0.781358D+00
      3  -0.206409D+01  0.828661D-01  0.249452D+01 -0.321126D+00  0.757152D+00
                51            52            53            54            55 
      1  -0.321126D+00 -0.210924D+01 -0.796683D+00  0.459790D+01  0.231555D+01
      2   0.757152D+00 -0.796683D+00  0.240299D+01 -0.355289D+01  0.153973D+01
      3  -0.240794D+01  0.459790D+01 -0.355289D+01  0.208964D+01  0.123043D+01
                56            57            58            59            60 
      1   0.153973D+01  0.123043D+01  0.199299D+01 -0.879219D+00 -0.164994D+00
      2  -0.368374D+00  0.914155D-01 -0.879219D+00 -0.744146D+01 -0.120583D+00
      3   0.914155D-01 -0.985471D+00 -0.164994D+00 -0.120583D+00  0.139779D+01
                61            62            63            64            65 
      1   0.176031D+01  0.204014D+00 -0.109993D+01  0.133416D+02 -0.128397D+01
      2   0.204014D+00  0.703834D+00  0.516385D+00 -0.128397D+01  0.203033D+01
      3  -0.109993D+01  0.516385D+00 -0.512400D+01  0.466857D+01 -0.803618D+00
                66            67            68            69            70 
      1   0.466857D+01  0.229474D+01  0.590574D+01  0.605306D+00  0.125986D+02
      2  -0.803618D+00  0.590574D+01 -0.420531D+01  0.122503D+01 -0.228016D+00
      3   0.318440D+01  0.605306D+00  0.122503D+01  0.100075D+01  0.439547D+01
                71            72            73            74            75 
      1  -0.228016D+00  0.439547D+01  0.419109D+01 -0.106182D+01 -0.190613D+01
      2   0.389916D+00  0.108378D+01 -0.106182D+01  0.350292D+00  0.500728D+00
      3   0.108378D+01 -0.133631D+01 -0.190613D+01  0.500728D+00  0.246872D+01
                76            77            78            79            80 
      1  -0.289201D+01  0.268882D+00  0.268475D+00 -0.233787D+01  0.589293D+00
      2   0.268882D+00 -0.684994D+00 -0.138195D+01  0.589293D+00 -0.179446D+01
      3   0.268475D+00 -0.138195D+01 -0.219769D+01  0.302657D+01 -0.261200D+01
                81            82            83            84            85 
      1   0.302657D+01  0.281961D+01  0.148451D+01 -0.123878D+01  0.113659D+01
      2  -0.261200D+01  0.148451D+01  0.178004D+01 -0.152262D+01  0.144092D+01
      3  -0.813193D+01 -0.123878D+01 -0.152262D+01  0.181253D+01 -0.132446D+01
                86            87            88            89            90 
      1   0.144092D+01 -0.132446D+01 -0.194757D+01 -0.179725D+01  0.150593D+01
      2   0.415835D+01 -0.232737D+01 -0.179725D+01 -0.267420D+01  0.210787D+01
      3  -0.232737D+01  0.203266D+01  0.150593D+01  0.210787D+01 -0.277118D+01
                91            92            93            94            95 
      1   0.176909D+00 -0.145479D+01 -0.621455D+00 -0.172641D+01 -0.128924D+01
      2  -0.145479D+01 -0.107812D+01  0.134360D+00 -0.128924D+01 -0.102175D+02
      3  -0.621455D+00  0.134360D+00  0.227900D+00 -0.258917D-01 -0.171255D+01
                96            97            98            99           100 
      1  -0.258917D-01 -0.209318D+01  0.289270D+00 -0.614336D+00 -0.565490D+00
      2  -0.171255D+01  0.289270D+00 -0.825707D+00 -0.432496D+00 -0.627913D+00
      3  -0.108850D+01 -0.614336D+00 -0.432496D+00 -0.266038D-01 -0.342484D+00
               101           102           103           104           105 
      1  -0.627913D+00 -0.342484D+00 -0.279328D+01 -0.321041D+01 -0.682213D-01
      2  -0.353180D+00 -0.440198D-01 -0.321041D+01 -0.829468D+01 -0.473058D+00
      3  -0.440198D-01 -0.216437D+00 -0.682213D-01 -0.473058D+00 -0.106840D+01
               106           107           108           109           110 
      1  -0.856869D+00 -0.427029D+00 -0.771653D+00 -0.111024D+02  0.134659D+01
      2  -0.427029D+00 -0.105877D+01 -0.869291D+00  0.134659D+01 -0.109561D+01
      3  -0.771653D+00 -0.869291D+00 -0.395766D-01 -0.213643D+01  0.620362D+00
               111           112           113           114           115 
      1  -0.213643D+01  0.500214D+01 -0.155874D+01  0.650276D+00 -0.517776D+01
      2   0.620362D+00 -0.155874D+01  0.779053D+00 -0.871386D+00  0.621484D+00
      3  -0.174800D+01  0.650276D+00 -0.871386D+00  0.999628D+00 -0.312440D+01
               116           117           118           119           120 
      1   0.621484D+00 -0.312440D+01 -0.460385D+01  0.184992D+00  0.193017D+01
      2  -0.116124D+01  0.751344D+00  0.184992D+00 -0.164772D+00  0.686790D-01
      3   0.751344D+00 -0.122152D+01  0.193017D+01  0.686790D-01 -0.188726D+01
               121           122           123           124           125 
      1   0.227265D+01 -0.809491D+00 -0.632032D+00  0.583596D+01  0.555982D+00
      2  -0.809491D+00 -0.170743D+00  0.839403D+00  0.555982D+00  0.106101D+01
      3  -0.632032D+00  0.839403D+00  0.101395D+01 -0.508521D+01  0.368468D+00
               126           127           128           129           130 
      1  -0.508521D+01 -0.533958D+01  0.254282D+01  0.250200D+01  0.233257D+01
      2   0.368468D+00  0.254282D+01 -0.228019D+01 -0.102774D+01 -0.207305D+01
      3   0.734230D+01  0.250200D+01 -0.102774D+01 -0.179036D+01 -0.855950D+00
               131           132           133           134           135 
      1  -0.207305D+01 -0.855950D+00  0.397877D+01 -0.146075D+01 -0.292582D+01
      2   0.189921D+01  0.115755D+01 -0.146075D+01  0.170898D+01  0.212425D+01
      3   0.115755D+01  0.123254D+01 -0.292582D+01  0.212425D+01  0.253799D+01
               136           137           138           139           140 
      1  -0.224030D+01  0.203723D+01 -0.106214D+01  0.198196D+01 -0.219338D+01
      2   0.203723D+01 -0.163641D+01  0.672946D+00 -0.219338D+01  0.362905D+01
      3  -0.106214D+01  0.672946D+00 -0.117681D+01  0.102512D+01 -0.211065D+01
               141           142           143           144           145 
      1   0.102512D+01 -0.279064D+01  0.222511D+01 -0.305645D+01  0.110240D+00
      2  -0.211065D+01  0.222511D+01 -0.445829D+01  0.317807D+01 -0.282815D+00
      3   0.180738D+01 -0.305645D+01  0.317807D+01 -0.462650D+01  0.688064D+00
               146           147           148           149           150 
      1  -0.282815D+00  0.688064D+00 -0.911729D+00  0.687131D+00 -0.312382D+00
      2   0.378683D+00 -0.377732D-01  0.687131D+00  0.538098D-01  0.103591D+01
      3  -0.377732D-01  0.593626D+00 -0.312382D+00  0.103591D+01 -0.735704D+00
               151           152           153           154           155 
      1   0.155672D+01 -0.396447D+00  0.680146D+00  0.272095D+00  0.115435D+01
      2  -0.396447D+00  0.153622D+01  0.103974D+01  0.115435D+01  0.619265D+00
      3   0.680146D+00  0.103974D+01  0.700271D+01 -0.123112D+00  0.815101D-01
               156           157           158           159           160 
      1  -0.123112D+00  0.112989D+01  0.363912D+00  0.674125D-01 -0.511132D+00
      2   0.815101D-01  0.363912D+00  0.121361D+02  0.546742D+00  0.688769D-01
      3   0.202802D+00  0.674125D-01  0.546742D+00  0.815259D+00  0.127272D+00
               161           162           163           164           165 
      1   0.688769D-01  0.127272D+00  0.407369D+01  0.299816D+00 -0.322615D+01
      2  -0.105594D+01  0.111042D+01  0.299816D+00 -0.331801D+01 -0.546910D+00
      3   0.111042D+01  0.337433D+00 -0.322615D+01 -0.546910D+00 -0.193833D+01
               166           167           168           169           170 
      1  -0.164789D+00 -0.470916D+01 -0.860918D+00 -0.421802D+01 -0.658752D+00
      2  -0.470916D+01  0.559448D+01 -0.327523D+01 -0.658752D+00 -0.177078D+01
      3  -0.860918D+00 -0.327523D+01 -0.331220D+01 -0.275945D+01 -0.271955D+01
               171           172           173           174           175 
      1  -0.275945D+01 -0.230625D+01 -0.766044D+00 -0.362554D+01 -0.163438D+01
      2  -0.271955D+01 -0.766044D+00 -0.362632D+01 -0.966671D+00 -0.602763D+01
      3  -0.640440D-01 -0.362554D+01 -0.966671D+00 -0.112637D+01 -0.137524D+01
               176           177           178           179           180 
      1  -0.602763D+01 -0.137524D+01 -0.439956D+01 -0.140627D+01 -0.241010D+01
      2   0.514368D+01 -0.181896D+00 -0.140627D+01 -0.707205D+00 -0.290784D+01
      3  -0.181896D+00 -0.290664D+01 -0.241010D+01 -0.290784D+01  0.478258D+01
               181           182           183           184           185 
      1  -0.572548D+01 -0.270601D+00  0.126802D+01 -0.303633D+00 -0.276721D+00
      2  -0.270601D+00 -0.816114D+00  0.658961D+00 -0.276721D+00 -0.515085D+00
      3   0.126802D+01  0.658961D+00 -0.244868D+01  0.368988D+00  0.537234D+00
               186           187           188           189           190 
      1   0.368988D+00  0.136382D+01  0.308976D+00 -0.104020D+01  0.276055D+01
      2   0.537234D+00  0.308976D+00  0.564862D+00  0.829308D-01  0.756126D+00
      3   0.183680D+00 -0.104020D+01  0.829308D-01  0.149787D+01  0.269709D+01
               191           192           193           194           195 
      1   0.756126D+00  0.269709D+01  0.209514D+01  0.164222D+01  0.191513D+01
      2   0.131287D+01  0.649083D+00  0.164222D+01  0.128221D+01  0.189280D+01
      3   0.649083D+00  0.309641D+01  0.191513D+01  0.189280D+01  0.374412D+01
               196           197           198           199           200 
      1   0.209320D+01  0.813751D+00  0.287974D+01  0.162913D+01 -0.182619D+01
      2   0.813751D+00  0.132458D+01  0.158500D+01 -0.182619D+01  0.240719D+01
      3   0.287974D+01  0.158500D+01  0.540252D+01  0.124568D+01 -0.797351D+00
               201           202           203           204           205 
      1   0.124568D+01 -0.243567D+01  0.329074D+01 -0.109941D+01  0.477706D+00
      2  -0.797351D+00  0.329074D+01 -0.773968D+01  0.292909D+01 -0.252551D+00
      3   0.131510D+01 -0.109941D+01  0.292909D+01 -0.209471D+01  0.854539D+00
               206           207           208           209           210 
      1  -0.252551D+00  0.854539D+00  0.496703D+00  0.472124D+00 -0.822543D+00
      2   0.945851D+00 -0.956721D+00  0.472124D+00  0.431371D+00 -0.543458D-01
      3  -0.956721D+00  0.930285D+00 -0.822543D+00 -0.543458D-01  0.841260D+00
               211           212           213           214           215 
      1   0.123090D+01  0.101720D+01 -0.533907D+00 -0.276390D+01 -0.229746D+00
      2   0.101720D+01  0.359989D+00 -0.103608D+01 -0.229746D+00 -0.128721D+01
      3  -0.533907D+00 -0.103608D+01  0.194770D+01  0.270650D+01  0.150235D+01
               216           217           218           219           220 
      1   0.270650D+01  0.333918D+01 -0.207420D+01  0.181178D+00 -0.521946D+01
      2   0.150235D+01 -0.207420D+01  0.216526D+01  0.138744D+00  0.482833D+01
      3  -0.702139D+01  0.181178D+00  0.138744D+00  0.369264D+00  0.583508D+00
               221           222           223           224           225 
      1   0.482833D+01  0.583508D+00  0.926415D+00  0.367602D-01  0.985544D+00
      2  -0.730510D+01 -0.221074D+00  0.367602D-01  0.173819D+00 -0.604766D+00
      3  -0.221074D+00 -0.101508D+01  0.985544D+00 -0.604766D+00 -0.327488D+00
               226           227           228           229           230 
      1   0.736149D+01  0.189292D+01  0.204461D+01  0.471455D+01  0.289221D+01
      2   0.189292D+01  0.161265D+01  0.774968D+00  0.289221D+01  0.149733D+01
      3   0.204461D+01  0.774968D+00  0.143206D+01  0.116484D+01  0.959257D+00
               231           232           233           234 
      1   0.116484D+01  0.533696D+01  0.126443D+01  0.232603D+01
      2   0.959257D+00  0.126443D+01  0.131814D+01  0.112224D+01
      3   0.151353D+01  0.232603D+01  0.112224D+01  0.165360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.246740D+01 -0.967168D+00 -0.227150D+01 -0.115999D+01  0.753947D+01
      2  -0.313227D+02  0.530567D+00 -0.387136D+01 -0.323877D+01 -0.428382D+01
      3   0.311190D+02 -0.512816D+01  0.176026D+01  0.180277D+02  0.890798D+01
                 6             7             8             9            10 
      1   0.713198D+00  0.969133D+00  0.414880D+01  0.208661D+01  0.154072D+01
      2  -0.247905D+00 -0.218913D+02 -0.179593D+01 -0.541381D+01 -0.324243D+01
      3   0.312068D+01  0.115342D+02 -0.117217D+01  0.585764D+01 -0.689520D+01
                11            12            13            14            15 
      1  -0.330159D+01 -0.612123D+00 -0.769284D+00 -0.821401D+01 -0.456842D+01
      2   0.631110D+01  0.962085D+00 -0.524802D+00  0.163413D+01  0.165899D+01
      3  -0.265218D+01 -0.619439D+01  0.109921D+02 -0.140462D+02  0.320089D+00
                16            17            18            19            20 
      1  -0.177148D+01  0.303270D+01 -0.231383D+01  0.698688D+00  0.173606D+00
      2  -0.455323D+01  0.660501D+01  0.173264D+01  0.258256D+02 -0.328055D+01
      3  -0.130948D+02  0.675166D+00 -0.301055D+01 -0.479309D+02  0.132637D+02
                21            22            23            24            25 
      1   0.448061D+01  0.237164D+01 -0.407066D+01 -0.363331D+01  0.911185D+01
      2  -0.411725D+01 -0.819478D+01  0.488594D+01  0.290632D+01 -0.248391D+02
      3   0.303096D+01  0.248415D+02 -0.725257D+01 -0.360827D+01  0.120502D+02
                26            27            28            29            30 
      1   0.916005D+00 -0.375910D+01  0.476201D+00  0.819061D+00 -0.355406D+01
      2   0.329274D+01  0.871458D+01 -0.255691D+02  0.378636D+01  0.759043D+01
      3  -0.421114D+01 -0.103721D+02  0.432954D+02 -0.176324D+02 -0.600704D+01
                31            32            33            34            35 
      1   0.169106D+01  0.699575D+00  0.185508D+01 -0.739688D+01  0.103200D+02
      2   0.119979D+02 -0.349572D+01 -0.379929D+01  0.308158D+01 -0.286100D+01
      3  -0.186261D+02  0.797418D+01 -0.108224D+01 -0.151379D+02  0.189809D+01
                36            37            38            39            40 
      1   0.388284D+01 -0.659212D+00  0.195787D+00  0.112697D+01  0.841708D+00
      2  -0.619531D+01 -0.267778D+01  0.241224D+01 -0.897623D+01  0.348193D+01
      3   0.821760D+01 -0.236172D+02  0.109147D+01 -0.154725D+01  0.130537D+02
                41            42            43            44            45 
      1   0.311207D+01 -0.282069D+01  0.596486D+01  0.450833D+00 -0.510020D+01
      2  -0.566828D+01  0.571172D+01 -0.329832D+02  0.561646D+01  0.208882D+02
      3   0.226528D+02  0.561638D+01 -0.286738D+01  0.708243D+01 -0.114669D+02
                46            47            48            49            50 
      1   0.341789D+01  0.365471D+00 -0.437548D+01  0.197646D+01 -0.216496D+01
      2   0.677310D+01 -0.168950D+01 -0.409507D+01 -0.150388D+01 -0.421357D+00
      3  -0.101888D+02 -0.616150D+01 -0.497362D+01  0.965153D+01 -0.408230D+01
                51            52            53            54            55 
      1   0.261772D+01 -0.116959D+02  0.121587D+02 -0.217244D+01 -0.214506D+01
      2   0.495733D+01 -0.145123D+02  0.806786D+01 -0.260044D+01 -0.326563D+01
      3   0.267053D+01 -0.706164D+01  0.805153D+01 -0.285262D+01  0.983296D+01
                56            57            58            59            60 
      1  -0.890633D+00  0.251550D+01  0.332028D+00 -0.694388D+01 -0.522892D+01
      2  -0.470203D+00  0.135403D+01 -0.260187D+01  0.132272D+01 -0.680536D+00
      3   0.612897D+01  0.469541D+01  0.118782D+02 -0.546457D+01  0.440178D+00
                61            62            63            64            65 
      1   0.296902D+01  0.272405D+01  0.123759D+02 -0.306951D+00  0.274725D+01
      2  -0.179000D+01 -0.114638D+01  0.281515D+01  0.275404D+02 -0.228870D+01
      3   0.461622D+01 -0.117730D+00 -0.115823D+01 -0.765950D+01 -0.105032D+02
                66            67            68            69            70 
      1   0.209303D+01 -0.481740D+01  0.237751D+01 -0.397996D+01 -0.198449D+01
      2   0.122317D+02  0.631516D+01  0.406136D+01  0.368526D+01  0.971495D+01
      3  -0.254260D+00 -0.149541D+02  0.895365D+01 -0.279337D+01 -0.982772D+01
                71            72            73            74            75 
      1   0.528959D+01 -0.223192D-01 -0.151754D+01 -0.441423D+00  0.138546D+01
      2   0.434935D+01 -0.101277D+01  0.503920D+01 -0.984033D+00  0.102498D+01
      3  -0.173841D+01 -0.610697D+01 -0.412509D+01 -0.112600D+01  0.100822D+01
                76            77            78            79            80 
      1   0.339454D+00  0.147526D+00 -0.785076D+00  0.197319D+01  0.361879D+01
      2  -0.388090D+01 -0.798352D+00 -0.144993D+01 -0.322277D+01 -0.970070D+00
      3   0.721723D+01 -0.537541D+00  0.369537D+00  0.150115D+01  0.182242D+01
                81            82            83            84            85 
      1  -0.239528D+01  0.540670D+00  0.257676D-01 -0.182633D+01  0.462631D+00
      2  -0.239839D+01  0.208130D+01 -0.855010D+00  0.231733D+01 -0.311853D+00
      3  -0.829757D+00  0.128690D+01 -0.208575D+01  0.159967D+00  0.367354D+01
                86            87            88            89            90 
      1  -0.123298D+01 -0.293752D+01 -0.897186D+00  0.758399D+00  0.279854D+01
      2  -0.115634D+01  0.129454D+01 -0.210190D+01  0.490611D-01 -0.212496D+01
      3  -0.396753D+01  0.119089D+01 -0.602820D+00  0.202722D+01  0.390677D-01
                91            92            93            94            95 
      1  -0.776727D+00  0.125143D+01 -0.418806D+00  0.108201D+01  0.618209D+01
      2   0.382121D+00 -0.127718D+01 -0.920571D-01 -0.174646D+01 -0.657027D+00
      3  -0.374105D+00 -0.240165D+00  0.975061D+00  0.468806D+01 -0.750436D+01
                96            97            98            99           100 
      1  -0.426199D+01 -0.382481D+01  0.118043D+01  0.964092D+00 -0.680857D+00
      2   0.149368D+01 -0.235099D+01  0.291863D-01 -0.866012D+00  0.125589D+01
      3  -0.993080D+00  0.584180D+01 -0.984275D+00  0.530616D+00 -0.257050D+01
               101           102           103           104           105 
      1  -0.472271D+00 -0.146041D+00 -0.515502D+00 -0.214481D+01 -0.414770D+01
      2   0.344387D+00  0.146357D+01  0.175936D+00  0.166916D+01  0.435247D+01
      3  -0.225325D+01  0.349531D+00 -0.451118D+01 -0.269948D+02 -0.191231D+01
               106           107           108           109           110 
      1  -0.188959D+00 -0.164850D+00 -0.521510D+00 -0.311808D+00  0.877877D+00
      2   0.139397D+01  0.232391D+01  0.152999D-01  0.825714D+01 -0.219886D+01
      3  -0.203921D+00 -0.340580D+01 -0.179890D+01  0.151938D+02 -0.803300D+01
               111           112           113           114           115 
      1  -0.102179D+01  0.250236D+00 -0.974776D+00 -0.165626D+00 -0.131192D+01
      2   0.928293D+01 -0.340490D+01  0.312384D+01 -0.430771D+01  0.112175D+02
      3   0.429827D+01 -0.846035D+01  0.447340D+01 -0.375098D+01  0.661810D+01
               116           117           118           119           120 
      1   0.158608D+01 -0.699935D+00  0.213493D+01 -0.669810D+00 -0.177897D+01
      2  -0.296437D+01  0.492944D+01 -0.654121D+01 -0.637947D+00  0.805454D+01
      3  -0.603732D+01  0.545321D+01  0.622867D+01 -0.223522D+01 -0.206052D+01
               121           122           123           124           125 
      1  -0.875917D+00  0.103357D+01  0.493900D+00 -0.340030D+01  0.333627D+01
      2   0.195875D+01 -0.269834D+01 -0.394022D+01  0.171301D+02 -0.141030D+01
      3  -0.274529D+01  0.177911D+00  0.298212D+01 -0.418008D+01  0.482099D+01
               126           127           128           129           130 
      1   0.693795D+01 -0.446672D+01  0.102779D+01  0.390803D+01  0.103889D+01
      2  -0.280331D+02 -0.494146D+01  0.297250D+01  0.591065D+01  0.184282D+01
      3   0.643249D+01 -0.373462D+01 -0.456969D+01  0.146567D+01  0.822488D+00
               131           132           133           134           135 
      1  -0.138654D+01 -0.301047D+01  0.500279D+01 -0.148450D+01 -0.449483D+01
      2  -0.264915D+01 -0.344633D+01  0.413615D+01 -0.479495D+01 -0.651223D+01
      3   0.878863D+00  0.838865D+00  0.507326D+01  0.229074D+01  0.190573D+00
               136           137           138           139           140 
      1   0.170743D+01 -0.103453D+01  0.224345D+01 -0.119815D+01  0.210624D+01
      2   0.127259D+01 -0.666401D+00  0.367354D+01 -0.344839D+00  0.314634D+01
      3   0.128578D+01 -0.166943D+01  0.309483D+00 -0.512098D+00  0.681782D+01
               141           142           143           144           145 
      1  -0.472990D+01  0.603881D+01 -0.426322D+01  0.804811D+01 -0.272700D+01
      2  -0.401732D+01  0.403794D+01 -0.592167D+01  0.900062D+01 -0.845284D+00
      3  -0.294197D+01  0.458657D+00 -0.936177D+01  0.316669D+01 -0.126199D+00
               146           147           148           149           150 
      1   0.138361D+01 -0.199041D+01  0.195331D+01 -0.283176D+01  0.241481D+01
      2   0.699638D+00 -0.240189D+00  0.230813D+01 -0.218594D+01  0.119502D+01
      3  -0.275627D+01  0.163062D+01 -0.196348D+01  0.975047D+00  0.599371D-01
               151           152           153           154           155 
      1  -0.222895D+01  0.230647D+01 -0.156456D+02  0.921788D+00  0.373924D+00
      2  -0.433800D+01  0.168142D+00 -0.363189D+01  0.647455D+00 -0.565232D+00
      3   0.445907D+01 -0.641083D+00  0.124430D+01  0.790885D+00  0.123905D+01
               156           157           158           159           160 
      1  -0.601184D+00 -0.106835D+00  0.453630D+01 -0.473556D+01 -0.617432D+00
      2   0.970045D+00 -0.132305D+01 -0.850047D+00 -0.291520D+00 -0.585364D+00
      3  -0.802622D+00  0.739737D+01  0.534984D+01  0.249911D+00 -0.138099D+01
               161           162           163           164           165 
      1  -0.154272D+01 -0.297974D+00 -0.146141D+01 -0.717571D+01 -0.262395D+01
      2  -0.363751D+00 -0.530723D+00 -0.166859D+02 -0.258002D+01  0.687775D+01
      3  -0.718064D+00  0.110846D+01 -0.391920D+01  0.352245D+01  0.410694D+01
               166           167           168           169           170 
      1  -0.107887D+02  0.869002D+01 -0.122245D+02 -0.364334D+01 -0.527589D+01
      2  -0.401111D+01  0.156943D+01 -0.412779D+01 -0.662176D-01 -0.350365D+01
      3   0.105763D+02 -0.697652D+01  0.626844D+01  0.507683D+01  0.443751D+01
               171           172           173           174           175 
      1  -0.646158D+01 -0.114329D+01  0.102389D+01 -0.478158D+00  0.270250D+01
      2   0.193111D+01 -0.145323D+02 -0.377690D+01 -0.618268D+01 -0.530934D+01
      3   0.698575D+01  0.484589D+01  0.138753D+02  0.482849D+01  0.282865D+02
               176           177           178           179           180 
      1  -0.272148D+01 -0.254549D+01 -0.379426D+00  0.108716D+01  0.321600D+01
      2  -0.453413D+01 -0.114385D+02 -0.163726D+02 -0.109581D+02  0.168181D+02
      3  -0.170697D+02  0.121994D+01  0.720525D+01  0.223693D+01  0.116621D+02
               181           182           183           184           185 
      1   0.311360D+00 -0.266855D+01 -0.112153D+01 -0.161400D+01  0.629473D+00
      2   0.195151D+02  0.896041D+00 -0.403773D+01  0.798845D+00  0.204586D+01
      3   0.643502D+01 -0.378573D+00 -0.155420D+01  0.225786D+01  0.723265D+00
               186           187           188           189           190 
      1  -0.181972D+00 -0.819861D+00  0.192485D+01  0.105035D+01  0.380825D+01
      2  -0.444148D+00 -0.619558D+01 -0.481472D+00  0.351956D+01  0.650510D+00
      3  -0.734908D+00 -0.142644D+01  0.623093D-01  0.804977D+00 -0.287579D+01
               191           192           193           194           195 
      1   0.432120D+01  0.353504D+01  0.459945D+01  0.539989D+01  0.518117D+01
      2  -0.294648D+00  0.319373D+01 -0.105654D+01  0.137746D+01  0.478174D+01
      3  -0.399877D+01 -0.315309D+01 -0.300890D+01 -0.407074D+01 -0.463350D+01
               196           197           198           199           200 
      1   0.430122D+01  0.616911D+01  0.722061D+01 -0.225061D+01  0.439484D+01
      2  -0.213460D+01  0.129272D+01  0.599503D+01 -0.383066D+00  0.110916D+01
      3  -0.206154D+01 -0.398419D+01 -0.474165D+01  0.155774D+01 -0.416241D+01
               201           202           203           204           205 
      1   0.965146D+00  0.556329D+01 -0.128201D+02  0.567855D+00 -0.945712D-02
      2   0.192068D+01  0.326191D+01  0.641093D+00 -0.335397D+01 -0.674661D+00
      3   0.794340D+00 -0.838346D+00  0.115442D+02 -0.427831D+01 -0.412072D+00
               206           207           208           209           210 
      1   0.242438D+01 -0.803715D+00 -0.604799D+00 -0.438586D+00  0.356400D+00
      2  -0.634645D+00  0.596122D+00 -0.305055D+01 -0.980092D-03  0.362902D+01
      3  -0.130332D+01  0.797923D+00 -0.171277D+01 -0.208236D+01  0.734538D+00
               211           212           213           214           215 
      1  -0.444257D+00 -0.108533D+01  0.195153D+00  0.743412D+00  0.401464D+01
      2  -0.261706D+00 -0.259140D+01  0.678950D+01  0.382028D+01  0.538873D+01
      3  -0.234264D+01 -0.182808D+01  0.363018D+01  0.107477D+01  0.541077D+01
               216           217           218           219           220 
      1  -0.261485D+01  0.941044D+00 -0.998222D+00  0.854156D+00 -0.120827D+01
      2  -0.232266D+02  0.208847D+01 -0.499436D+00  0.301336D+01 -0.361368D+00
      3  -0.639944D+01  0.583815D+01 -0.871362D+01 -0.694322D+00 -0.119095D+02
               221           222           223           224           225 
      1   0.327080D+01 -0.324618D+01  0.291880D+00  0.456382D+00  0.988093D-01
      2   0.175070D+01 -0.458886D+01  0.239593D+01 -0.151920D+01 -0.768315D+00
      3   0.251105D+02  0.280753D+00 -0.121091D+01 -0.626284D+00  0.135776D+01
               226           227           228           229           230 
      1   0.855928D-01  0.769745D-01 -0.643466D+00 -0.299420D+00  0.161495D+00
      2   0.103216D+02  0.370892D+01  0.871411D+01  0.593479D+01  0.476187D+01
      3  -0.937679D+01 -0.893942D+01 -0.361256D+01 -0.104375D+02 -0.734497D+01
               231           232           233           234 
      1  -0.140756D+01  0.200845D+00  0.102792D+01 -0.670477D+00
      2   0.730749D+01  0.862876D+01  0.474261D+01  0.776660D+01
      3  -0.393727D+01 -0.604140D+01 -0.651456D+01 -0.511203D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216871D+01  0.100735D+01 -0.733586D+01  0.427557D+01 -0.373462D+01
      2   0.100156D+02 -0.266866D+01 -0.141171D+01 -0.224043D+01  0.600560D+01
      3  -0.121843D+02  0.166131D+01  0.874757D+01 -0.203514D+01 -0.227098D+01
      4   0.140053D+02  0.245379D+01 -0.229700D+01 -0.212198D+01 -0.956339D+00
      5   0.894408D+00 -0.366106D+01 -0.106720D+02  0.249668D+01 -0.175744D+01
      6  -0.509880D+00 -0.156706D+01  0.134923D+01  0.307165D+00  0.808371D+01
                 6             7             8             9            10 
      1   0.524152D+01 -0.239588D+02  0.531940D+00  0.875129D+01 -0.774998D+01
      2   0.698703D-01  0.116213D+01  0.361717D+01  0.744605D+01  0.523088D+01
      3  -0.531139D+01  0.227967D+02 -0.414911D+01 -0.161973D+02  0.251909D+01
      4  -0.148280D+01 -0.605133D+01  0.408364D+01  0.757428D+01  0.473665D+01
      5   0.225015D+01 -0.149410D+02  0.542850D+01  0.126687D+02  0.595448D-01
      6  -0.169494D+01  0.838240D+01 -0.178963D+01 -0.942012D+01  0.410976D+01
                11            12            13            14            15 
      1   0.755328D+01 -0.519776D+01  0.748875D+01 -0.112306D+02 -0.122946D+01
      2   0.551930D+00  0.550882D+01 -0.275220D+01  0.128981D+02  0.387779D+01
      3  -0.810521D+01 -0.311056D+00 -0.473655D+01 -0.166749D+01 -0.264834D+01
      4  -0.524094D+01  0.813598D+01 -0.780565D+01  0.200474D+01  0.725673D+01
      5   0.785233D+01 -0.491313D+01  0.170698D+01  0.474883D+01 -0.342795D+01
      6   0.466582D+01 -0.541011D+01  0.700764D+01  0.404831D+01 -0.379317D+01
                16            17            18            19            20 
      1  -0.817730D+01  0.728902D+01 -0.236301D+01 -0.517318D+02  0.148453D+02
      2   0.648424D+01 -0.200092D+01  0.142872D+01  0.199581D+02 -0.113665D+02
      3   0.169306D+01 -0.528810D+01  0.934287D+00  0.317737D+02 -0.347885D+01
      4   0.127263D+02  0.570674D+01 -0.391562D+01 -0.134132D+02 -0.827034D+01
      5  -0.554817D+01 -0.305883D+01  0.423804D+01 -0.149268D+01  0.146058D+01
      6  -0.554760D+01 -0.583442D+01  0.749868D+01  0.540404D+01 -0.152365D+01
                21            22            23            24            25 
      1   0.467928D+01  0.294135D+02  0.357338D+01 -0.388854D+01  0.185872D+02
      2   0.413121D-01 -0.233859D+02 -0.191530D+02 -0.345897D+01 -0.704488D+00
      3  -0.472059D+01 -0.602765D+01  0.155796D+02  0.734752D+01 -0.178827D+02
      4   0.181902D+01 -0.128994D+01 -0.111656D+02 -0.111702D+01  0.329221D+01
      5  -0.327953D+01 -0.519344D+01 -0.237431D+01  0.369700D+01  0.251514D+01
      6  -0.569524D+01 -0.563815D+01 -0.763791D+01  0.676905D+01 -0.118471D+02
                26            27            28            29            30 
      1  -0.405045D+01 -0.246256D+02  0.680074D+02 -0.257118D+02 -0.148017D+02
      2  -0.545096D+01  0.369356D+00 -0.358510D+02  0.127655D+02  0.316735D+01
      3   0.950141D+01  0.242562D+02 -0.321564D+02  0.129463D+02  0.116343D+02
      4   0.473713D+01  0.268341D+01  0.682349D+00  0.566869D+01  0.185667D+01
      5   0.404482D+01  0.105981D+02 -0.147656D+01  0.391008D+01  0.122145D+02
      6   0.134279D+02  0.130380D+02 -0.468461D+01  0.745344D+01  0.604263D+01
                31            32            33            34            35 
      1  -0.261617D+02  0.958510D+01  0.359298D+01 -0.147260D+02  0.593171D+01
      2   0.108763D+02  0.473371D+01  0.138075D+01  0.470368D+01 -0.214780D+01
      3   0.152855D+02 -0.143188D+02 -0.497373D+01  0.100223D+02 -0.378391D+01
      4   0.136670D+02  0.247162D+01 -0.292947D+00  0.142613D+01  0.125674D+01
      5  -0.960559D+00  0.302311D+01 -0.601156D+01  0.243770D+02 -0.481451D+01
      6   0.647929D+01 -0.570207D+01 -0.392028D+01  0.597057D+01  0.267367D+01
                36            37            38            39            40 
      1   0.112790D+02 -0.599458D+02  0.241519D+02 -0.106507D+02  0.335463D+02
      2  -0.116263D+02  0.373626D+02 -0.133110D+02  0.286986D+01 -0.245031D+02
      3   0.347240D+00  0.225832D+02 -0.108408D+02  0.778079D+01 -0.904317D+01
      4  -0.618116D+00  0.129576D+02  0.337170D+01  0.374775D+01 -0.519049D+01
      5  -0.494644D+01 -0.139018D+02  0.391261D+01 -0.208991D+02  0.530504D+01
      6  -0.655429D+01  0.753820D+00 -0.112752D+00 -0.258471D+01 -0.103016D+01
                41            42            43            44            45 
      1   0.727351D+01  0.762920D+01 -0.183528D+02  0.721591D+01 -0.289802D+02
      2  -0.207028D+02 -0.501470D+01  0.103839D+01 -0.619751D+01  0.270119D+02
      3   0.134293D+02 -0.261451D+01  0.173144D+02 -0.101840D+01  0.196829D+01
      4  -0.384332D+02 -0.841233D+01  0.279393D+01 -0.968743D+01  0.367385D+01
      5  -0.105361D+02  0.111526D+02 -0.508786D+02  0.106084D+02  0.360498D+02
      6  -0.263707D+01  0.276715D+01 -0.737270D+01  0.201845D+01  0.718679D+01
                46            47            48            49            50 
      1   0.842853D+01  0.744185D+01  0.884909D+01  0.684459D+01 -0.125827D+02
      2  -0.559222D+01 -0.343527D+01 -0.405313D+01 -0.829120D+00  0.923810D+01
      3  -0.283631D+01 -0.400658D+01 -0.479596D+01 -0.601547D+01  0.334460D+01
      4   0.147682D+02 -0.148964D+02 -0.704893D+01 -0.250958D+02  0.640274D+01
      5   0.111803D+02 -0.503589D+01 -0.133306D+02  0.111797D+01 -0.394927D+01
      6  -0.924327D+01 -0.305266D+01  0.103702D+02 -0.571132D+01  0.951568D+01
                51            52            53            54            55 
      1  -0.971406D+00  0.827671D+01 -0.491530D+01 -0.591692D+01 -0.116078D+02
      2   0.231993D+01 -0.448507D+01  0.455721D+01  0.578768D+00  0.902522D+01
      3  -0.134853D+01 -0.379164D+01  0.358094D+00  0.533815D+01  0.258258D+01
      4  -0.189877D+01 -0.857003D+00 -0.989227D+01  0.226755D+02  0.930868D+00
      5   0.113188D+02 -0.248717D+02  0.198657D+02 -0.596233D+01 -0.118685D+01
      6  -0.113950D+02  0.203981D+02 -0.223477D+02  0.974194D+01  0.765560D+01
                56            57            58            59            60 
      1   0.218964D+01 -0.998604D+00 -0.239286D+01  0.292725D+02 -0.140471D+01
      2  -0.640653D+01  0.106037D+01 -0.358535D+00 -0.493531D+02 -0.162594D+01
      3   0.421689D+01 -0.617622D-01  0.275139D+01  0.200806D+02  0.303065D+01
      4   0.133687D+00  0.321909D+01  0.674182D+01  0.421196D+01 -0.784770D+00
      5   0.198709D+01 -0.263472D+00 -0.957932D+00 -0.142215D+01 -0.793920D-01
      6   0.825271D-01 -0.211625D+01 -0.525813D+00 -0.344753D+01  0.461711D+01
                61            62            63            64            65 
      1  -0.102468D+01 -0.202255D+01  0.111023D+02  0.339512D+01 -0.349732D+01
      2   0.816868D+00  0.623121D+01  0.701128D+01 -0.839514D+01  0.146412D+00
      3   0.207812D+00 -0.420866D+01 -0.181136D+02  0.500003D+01  0.335090D+01
      4  -0.427024D+00  0.593291D+00 -0.518279D+01 -0.781397D+01  0.828352D+01
      5   0.461810D+01 -0.185470D+01  0.663664D+00  0.183220D+02 -0.150565D+01
      6  -0.362277D+01  0.368482D+01 -0.165405D+02 -0.481523D+01  0.317734D+01
                66            67            68            69            70 
      1   0.170394D+02 -0.470428D+01  0.154000D+02 -0.123419D+01  0.238703D+02
      2  -0.106547D+02  0.759878D+00 -0.625723D+01 -0.113994D+01 -0.140114D+02
      3  -0.638471D+01  0.394440D+01 -0.914273D+01  0.237413D+01 -0.985889D+01
      4  -0.352752D+01  0.194569D+02 -0.162323D+02  0.330658D+01 -0.510480D+01
      5   0.103382D+02 -0.390060D-01  0.496682D+01  0.522545D+01  0.174883D+02
      6   0.831440D+00  0.479725D+00 -0.425112D+01  0.194022D+01 -0.281174D+01
                71            72            73            74            75 
      1  -0.173162D+01  0.558857D+01 -0.150060D+01 -0.445172D-01  0.409291D+01
      2  -0.135136D+01 -0.770790D+01 -0.541765D+01  0.145080D+01  0.424719D+01
      3   0.308298D+01  0.211933D+01  0.691825D+01 -0.140628D+01 -0.834010D+01
      4   0.194646D+01  0.352917D+01 -0.629297D+01  0.483170D+01  0.382082D+01
      5   0.489764D+01 -0.647679D+01 -0.825941D+01  0.355243D+01  0.129604D+02
      6   0.293878D+01  0.205128D+01  0.448867D+01 -0.239595D+01 -0.402586D+01
                76            77            78            79            80 
      1   0.416300D+01 -0.675435D+01 -0.716840D+01  0.591830D+01 -0.740119D+01
      2  -0.737329D+00  0.136273D+01 -0.470150D+00  0.600917D+01 -0.241756D+01
      3  -0.342567D+01  0.539162D+01  0.763855D+01 -0.119275D+02  0.981875D+01
      4   0.428195D+01 -0.196336D+01 -0.388386D+01  0.506314D+01 -0.419153D+01
      5   0.374900D+01 -0.392070D+01 -0.464958D+01  0.139959D+02 -0.615218D+01
      6  -0.266880D+01  0.567736D+01  0.100846D+02 -0.452129D+01  0.101970D+02
                81            82            83            84            85 
      1  -0.259723D+02  0.593664D+01 -0.154205D+01  0.801234D+00 -0.106663D+01
      2  -0.145040D+02 -0.192503D+01  0.278036D+01 -0.451242D+00  0.297252D+01
      3   0.404762D+02 -0.401161D+01 -0.123831D+01 -0.349992D+00 -0.190589D+01
      4  -0.760898D+01  0.110940D+02  0.124619D+02 -0.827908D+01  0.111231D+02
      5  -0.194335D+02 -0.701341D+01 -0.679546D+01  0.879367D+01 -0.562816D+01
      6   0.166774D+02 -0.769851D+01 -0.688407D+01  0.678793D+01 -0.708613D+01
                86            87            88            89            90 
      1  -0.107573D+02  0.503553D+01  0.779972D-01  0.490502D+01 -0.658223D+01
      2   0.138063D+02 -0.494887D+01 -0.593507D-01 -0.460303D+01  0.358061D+00
      3  -0.304908D+01 -0.866551D-01 -0.186465D-01 -0.301991D+00  0.622417D+01
      4   0.160996D+02 -0.941634D+01 -0.882710D+01 -0.100013D+02  0.992222D+01
      5  -0.757113D+01  0.603416D+01  0.780099D+01  0.733344D+01 -0.931385D+01
      6  -0.149490D+02  0.130069D+02  0.766456D+01  0.134760D+02 -0.135880D+02
                91            92            93            94            95 
      1  -0.256384D+01  0.519945D+00  0.190392D+01  0.142893D+01 -0.326813D+02
      2   0.398544D+01  0.327353D+01 -0.646024D+00  0.227744D+01  0.477589D+02
      3  -0.142159D+01 -0.379347D+01 -0.125790D+01 -0.370637D+01 -0.150777D+02
      4   0.286052D+01  0.100354D+02  0.127480D+01  0.910006D+01  0.198357D+02
      5   0.112561D+01  0.166494D+01  0.166650D+01  0.227424D+01  0.515177D+01
      6   0.368117D+01  0.870640D-02 -0.124691D-01  0.126314D+01  0.159492D+02
                96            97            98            99           100 
      1  -0.680081D+01  0.362789D+01 -0.378894D+01 -0.797662D+00  0.454666D+01
      2   0.657058D+01 -0.337867D+01  0.429518D+01  0.270448D+01  0.455717D+00
      3   0.230235D+00 -0.249227D+00 -0.506239D+00 -0.190682D+01 -0.500238D+01
      4   0.327668D+01  0.140230D+01 -0.194430D+00  0.845052D+00  0.565164D+01
      5   0.323535D+01  0.234295D+01  0.106050D+01 -0.436764D+00  0.235103D+01
      6   0.946157D+01  0.329874D+01  0.460075D+01  0.134050D+01  0.716748D+00
               101           102           103           104           105 
      1   0.516906D+01  0.239372D+01  0.106561D+02 -0.682735D+01 -0.855119D+00
      2  -0.168348D+01 -0.967913D+00  0.368858D+01  0.308108D+02  0.187425D+01
      3  -0.348558D+01 -0.142580D+01 -0.143446D+02 -0.239834D+02 -0.101914D+01
      4   0.880173D+01  0.788479D+00  0.271941D+02  0.561007D+02  0.361090D+01
      5   0.150863D+00  0.299468D+01  0.745978D+00  0.459699D+01  0.824066D+01
      6   0.129614D+00  0.230839D+00  0.435750D+00  0.121236D+00  0.677226D+01
               106           107           108           109           110 
      1   0.473762D+01 -0.975728D+00  0.348789D+00  0.845617D+02 -0.121901D+02
      2  -0.101887D+01  0.280758D+01  0.390543D+00 -0.460558D+02  0.798234D+01
      3  -0.371875D+01 -0.183185D+01 -0.739333D+00 -0.385059D+02  0.420777D+01
      4   0.358109D+01  0.740776D+01  0.544714D+01 -0.121651D+01  0.106523D+02
      5   0.676718D+01  0.525386D+01  0.192473D+00  0.258808D+02 -0.501672D+01
      6   0.222111D+01  0.635407D+01  0.151022D+01  0.992058D+00 -0.293518D+00
               111           112           113           114           115 
      1   0.188278D+02 -0.355381D+02  0.101252D+02 -0.593483D+01  0.403118D+02
      2  -0.108157D+02  0.202389D+02 -0.419985D+01  0.415297D+01 -0.222844D+02
      3  -0.801208D+01  0.152992D+02 -0.592535D+01  0.178187D+01 -0.180273D+02
      4  -0.252151D+01  0.108960D+02 -0.594642D+01  0.601672D+01 -0.115592D+01
      5   0.181675D+02 -0.931085D+01  0.724113D+01 -0.829522D+01  0.311483D+02
      6   0.219948D+01  0.148484D+01 -0.395142D+00  0.623978D+00  0.263516D+01
               116           117           118           119           120 
      1  -0.562068D+01  0.184314D+02  0.268091D+02 -0.235869D+01 -0.107026D+02
      2   0.476186D+01 -0.146520D+02 -0.182762D+02  0.170827D+01  0.859175D+01
      3   0.858817D+00 -0.377940D+01 -0.853294D+01  0.650420D+00  0.211089D+01
      4   0.869761D+01 -0.271967D+01  0.346447D+01  0.347768D+01 -0.241832D+01
      5  -0.619432D+01  0.125193D+02 -0.149230D+02 -0.370290D+00  0.191951D+02
      6   0.120465D+01  0.611010D-01 -0.294745D+01 -0.728093D+00  0.324645D+01
               121           122           123           124           125 
      1  -0.133935D+02  0.118757D+01  0.227183D+01 -0.247109D+02 -0.167951D+01
      2   0.982737D+01 -0.325721D+00 -0.382628D+01  0.224072D+02 -0.111104D+01
      3   0.356612D+01 -0.861852D+00  0.155445D+01  0.230373D+01  0.279055D+01
      4   0.556678D+01  0.145035D+01 -0.551590D+01 -0.898874D+01 -0.946545D+01
      5   0.449619D+01 -0.556270D+01 -0.715423D+01  0.432049D+02 -0.245632D+01
      6  -0.165516D+01  0.299176D-01  0.295887D+01  0.761891D+01  0.423505D+01
               126           127           128           129           130 
      1   0.151790D+02  0.214985D+02 -0.634979D+01 -0.908313D+01 -0.458084D+01
      2  -0.258822D+02 -0.885218D+01 -0.190582D+00  0.458850D+01 -0.189474D+01
      3   0.107033D+02 -0.126464D+02  0.654037D+01  0.449463D+01  0.647558D+01
      4   0.181773D+01 -0.227322D+02  0.174860D+02  0.976605D+01  0.153852D+02
      5  -0.546728D+02 -0.170245D+02  0.687625D+01  0.130619D+02  0.546998D+01
      6  -0.113567D+02  0.894976D+01 -0.459641D+01 -0.709192D+01 -0.460911D+01
               131           132           133           134           135 
      1   0.125841D+01  0.296648D+00 -0.123305D+02  0.794600D+00  0.350245D+01
      2   0.439564D+01  0.201142D+01  0.696906D+01  0.193003D+01 -0.420549D+01
      3  -0.565405D+01 -0.230806D+01  0.536144D+01 -0.272463D+01  0.703034D+00
      4  -0.136843D+02 -0.739640D+01  0.148319D+02 -0.121761D+02 -0.139029D+02
      5  -0.671162D+01 -0.662650D+01  0.184687D+02 -0.114365D+02 -0.152808D+02
      6   0.583821D+01  0.740022D+01 -0.111491D+02  0.106885D+02  0.928775D+01
               136           137           138           139           140 
      1   0.609876D+01 -0.479547D+01  0.288655D+01 -0.131787D+01 -0.502474D+01
      2  -0.222321D+01  0.791145D+00 -0.201150D+01 -0.284513D+01  0.964343D+01
      3  -0.387554D+01  0.400432D+01 -0.875051D+00  0.416300D+01 -0.461869D+01
      4  -0.132594D+02  0.128043D+02 -0.560706D+01  0.141236D+02 -0.162050D+02
      5   0.739477D+01 -0.469994D+01  0.965070D+01 -0.520124D+01  0.976903D+01
      6  -0.592189D+01  0.443376D+01 -0.541370D+01  0.698811D+01 -0.133522D+02
               141           142           143           144           145 
      1   0.276046D+01  0.463420D+01  0.529872D+01 -0.243263D+01  0.737218D+00
      2  -0.430516D+01 -0.231463D+01 -0.675050D+01 -0.285184D+01 -0.385985D+01
      3   0.154470D+01 -0.231957D+01  0.145178D+01  0.528447D+01  0.312263D+01
      4   0.102185D+02 -0.151337D+02  0.198526D+02 -0.173603D+02  0.257815D+00
      5  -0.839792D+01  0.179242D+02 -0.156859D+02  0.206756D+02  0.130139D+01
      6   0.132178D+02 -0.150762D+02  0.208871D+02 -0.217153D+02  0.421142D+00
               146           147           148           149           150 
      1  -0.104360D+01 -0.763758D+00  0.117997D+00 -0.392139D+01 -0.863586D+00
      2   0.188385D+01 -0.683667D+00  0.152026D+01  0.279717D+01  0.398793D+01
      3  -0.840253D+00  0.144743D+01 -0.163826D+01  0.112423D+01 -0.312435D+01
      4   0.260485D+01  0.150455D+01 -0.221212D-01  0.120021D+00  0.149681D+00
      5  -0.679670D+00  0.575440D+01 -0.613961D+00  0.880121D+00 -0.239452D+00
      6   0.157732D+01  0.131105D+01  0.100989D+01  0.149399D+01  0.229529D+01
               151           152           153           154           155 
      1  -0.654400D+00 -0.733619D+01 -0.193113D+02 -0.128224D+01 -0.326403D+01
      2  -0.149947D+01  0.528481D+01 -0.887462D+01  0.606797D+01  0.480455D+01
      3   0.215387D+01  0.205137D+01  0.281859D+02 -0.478573D+01 -0.154052D+01
      4   0.353481D+01  0.410359D+00  0.244033D+01  0.130608D+00  0.101024D+02
      5   0.393851D+01 -0.629075D+00 -0.693928D+00  0.258350D+00  0.869859D+00
      6   0.117853D+01  0.895654D+01  0.227518D+02 -0.532701D+00  0.465216D+00
               156           157           158           159           160 
      1  -0.433281D+00 -0.157815D+01 -0.471569D+02 -0.276198D+01 -0.370101D-01
      2  -0.624273D-01  0.149225D+01  0.785662D+02  0.296958D+01  0.209373D+00
      3   0.495708D+00  0.858944D-01 -0.314093D+02 -0.207600D+00 -0.172362D+00
      4  -0.183058D+00  0.772812D+01 -0.294635D+01 -0.516299D-01 -0.930993D+00
      5   0.158519D+01  0.330289D+00  0.759485D+00 -0.274746D+00  0.528520D+00
      6   0.864263D+00  0.326796D+00  0.705880D+01  0.810730D+01  0.628783D+00
               161           162           163           164           165 
      1   0.297715D+01 -0.592105D+01  0.210636D+02 -0.216862D+01 -0.588306D+01
      2  -0.564327D+01  0.553180D+01 -0.388594D+01  0.104163D+02  0.880572D+01
      3   0.266613D+01  0.389250D+00 -0.171776D+02 -0.824769D+01 -0.292266D+01
      4   0.846720D+00 -0.766720D-01 -0.533161D+01 -0.101719D+02  0.480007D+00
      5  -0.561285D+00  0.322732D-01 -0.334452D+01 -0.147544D+01 -0.152311D+02
      6   0.905567D+01  0.915605D+00  0.203203D+01 -0.115218D+02 -0.389358D+01
               166           167           168           169           170 
      1  -0.234872D+01 -0.135441D+01 -0.331490D+00 -0.733316D+01  0.111736D+01
      2   0.154233D+02 -0.645348D+01  0.157656D+02  0.105982D+02  0.116558D+02
      3  -0.130746D+02  0.780790D+01 -0.154342D+02 -0.326501D+01 -0.127731D+02
      4  -0.178662D+02  0.238282D+02 -0.132331D+02  0.433437D+00 -0.729114D+01
      5  -0.360681D+01 -0.199109D+02 -0.147732D+02 -0.219400D+02 -0.114163D+02
      6  -0.161495D+02  0.174464D+02 -0.963789D+01 -0.480912D+01 -0.600153D+01
               171           172           173           174           175 
      1  -0.117406D+02 -0.241438D+01 -0.107530D+02 -0.251171D+02 -0.168567D+02
      2   0.908094D+01 -0.276524D+01  0.985285D+01  0.115045D+02  0.167659D+02
      3   0.265969D+01  0.517962D+01  0.900169D+00  0.136126D+02  0.907979D-01
      4  -0.863020D+01 -0.978776D+01 -0.270412D+02 -0.676690D+01 -0.442552D+02
      5  -0.772385D+01 -0.274365D+02 -0.691006D+01 -0.930038D+01 -0.110566D+02
      6  -0.137806D+02  0.200090D+00  0.228987D+01 -0.409081D+00  0.334089D+01
               176           177           178           179           180 
      1  -0.257192D+02 -0.104044D+02 -0.318348D+02 -0.106727D+02 -0.798813D+01
      2   0.405252D+01  0.244796D+01  0.116582D+02  0.196489D+01  0.135150D+02
      3   0.216666D+02  0.795643D+01  0.201766D+02  0.870784D+01 -0.552686D+01
      4   0.361675D+02 -0.287639D+01 -0.111957D+02 -0.466574D+01 -0.191173D+02
      5  -0.122051D+01 -0.186723D+02 -0.157711D+02 -0.185331D+02  0.294753D+02
      6  -0.446622D+01 -0.966727D+00 -0.169947D+01  0.174399D+01  0.148546D+01
               181           182           183           184           185 
      1  -0.138488D+02 -0.223720D+01  0.111457D+02 -0.449498D+00 -0.325112D+01
      2   0.428426D+01 -0.192538D+00  0.139492D+01 -0.155544D+01  0.328963D+01
      3   0.956459D+01  0.242974D+01 -0.125406D+02  0.200494D+01 -0.385125D-01
      4   0.782827D+01  0.113218D+01 -0.832657D+00  0.370776D+01 -0.133382D+01
      5  -0.122675D+02  0.339635D+00  0.248563D+01  0.568124D-01  0.508883D+00
      6  -0.170948D+01 -0.418831D+01  0.535530D+01 -0.122311D+01 -0.222529D+01
               186           187           188           189           190 
      1   0.175033D+01  0.668483D+01  0.156148D+01 -0.635325D+01  0.740272D+01
      2  -0.250879D+01  0.440036D+00 -0.132940D+01 -0.311723D+01 -0.119353D+02
      3   0.758460D+00 -0.712487D+01 -0.232075D+00  0.947048D+01  0.453258D+01
      4   0.885927D+00 -0.125459D+01 -0.595705D+00  0.244394D+01  0.412298D+01
      5   0.241776D+01  0.711401D+01  0.163341D+01 -0.291483D+01  0.190949D+02
      6   0.326767D+01  0.284485D+01  0.302073D+01 -0.155599D+01  0.337319D+01
               191           192           193           194           195 
      1   0.307182D+01  0.279658D+01  0.493158D+01 -0.402505D+00 -0.306545D+01
      2  -0.532037D+01 -0.124663D+02 -0.952686D+01 -0.263783D+01 -0.117687D+02
      3   0.224855D+01  0.966976D+01  0.459528D+01  0.304034D+01  0.148341D+02
      4   0.655702D+01  0.257919D+01  0.807767D+01  0.532163D+01  0.775448D+01
      5   0.553517D+01  0.213377D+02  0.136149D+02  0.107128D+02  0.182092D+02
      6   0.606559D+01  0.311974D+01  0.756590D+01  0.735598D+01  0.100285D+02
               196           197           198           199           200 
      1   0.285673D+01 -0.143275D+01 -0.670048D+01  0.408816D+01 -0.294663D+01
      2  -0.125163D+02 -0.638631D+01 -0.202673D+02 -0.171286D+00 -0.347172D+01
      3   0.965960D+01  0.781907D+01  0.269678D+02 -0.391687D+01  0.641835D+01
      4   0.258392D+01  0.559883D+01  0.570188D+01 -0.116264D+02  0.151160D+02
      5   0.202646D+02  0.813700D+01  0.276126D+02  0.828315D+01 -0.720544D+01
      6   0.398251D+01  0.797879D+01  0.766548D+01 -0.641645D+01  0.934539D+01
               201           202           203           204           205 
      1   0.279689D-01 -0.254840D+01 -0.111026D+02  0.705025D+01 -0.664627D+00
      2  -0.184725D+01 -0.551323D+01  0.234418D+02 -0.480287D+01 -0.175715D+01
      3   0.181929D+01  0.806163D+01 -0.123392D+02 -0.224738D+01  0.242177D+01
      4  -0.496463D+01  0.189623D+02 -0.319901D+02  0.113561D+02 -0.151353D+01
      5   0.895802D+01 -0.959876D+01  0.149596D+02 -0.944995D+01  0.600421D+01
      6  -0.427246D+01  0.120118D+02 -0.283565D+02  0.163702D+02 -0.314808D+01
               206           207           208           209           210 
      1   0.368841D+01 -0.244141D+01  0.490697D+01  0.330161D+01 -0.529164D+01
      2  -0.939172D+00 -0.599950D-01 -0.488260D+01 -0.226525D+01  0.439309D+01
      3  -0.274924D+01  0.250140D+01 -0.243722D-01 -0.103636D+01  0.898558D+00
      4   0.379891D+01 -0.426372D+01  0.318958D+01  0.409833D+01 -0.107071D+01
      5  -0.430425D+01  0.535846D+01 -0.640311D+01 -0.160119D+01  0.107993D+02
      6   0.984811D+01 -0.535414D+01 -0.839255D+00 -0.441311D+00  0.194885D+00
               211           212           213           214           215 
      1   0.748316D+01  0.214950D+01  0.657379D+00 -0.135841D+02  0.132455D+01
      2  -0.543327D+01 -0.107416D+01  0.286556D+01  0.122625D+02  0.221470D+01
      3  -0.204989D+01 -0.107534D+01 -0.352294D+01  0.132154D+01 -0.353925D+01
      4   0.824567D+01  0.231079D+01 -0.664809D+01 -0.168322D+01 -0.915502D+01
      5  -0.468182D+01 -0.642159D+01  0.129875D+02  0.231475D+02  0.979360D+01
      6  -0.172192D+01 -0.218123D+01  0.470632D+01  0.612431D+00  0.492229D+01
               216           217           218           219           220 
      1   0.136688D+01  0.218658D+02 -0.123923D+02  0.133884D+01 -0.259184D+02
      2  -0.184117D+02 -0.647620D+01  0.264316D+01 -0.571505D+00  0.397690D+01
      3   0.170448D+02 -0.153896D+02  0.974911D+01 -0.767331D+00  0.219415D+02
      4   0.100087D+02 -0.179189D+02  0.217555D+02  0.141238D+01  0.401351D+02
      5  -0.465505D+02 -0.424199D+00  0.232228D+01  0.508399D+01  0.615167D+01
      6  -0.162826D+01  0.172995D+01 -0.206695D+01 -0.877848D+00 -0.418718D+01
               221           222           223           224           225 
      1   0.131845D+02  0.221902D+01  0.524686D+01  0.617546D+00  0.285827D+01
      2   0.105634D+02 -0.167571D+01 -0.156502D+01 -0.809146D+00 -0.135352D+01
      3  -0.237480D+02 -0.543304D+00 -0.368184D+01  0.191600D+00 -0.150475D+01
      4  -0.539162D+02 -0.149349D+01  0.178383D+00  0.136719D+01 -0.415653D+01
      5  -0.274156D+01 -0.856188D+01  0.841034D+01 -0.461046D+01 -0.251906D+01
      6   0.665280D+01  0.587429D+01 -0.260581D+01  0.486448D+01  0.418860D-01
               226           227           228           229           230 
      1   0.558973D+02  0.151071D+02  0.157247D+02  0.319743D+02  0.145657D+02
      2  -0.272047D+02 -0.727099D+01 -0.765451D+01 -0.151805D+02 -0.335591D+01
      3  -0.286926D+02 -0.783612D+01 -0.807018D+01 -0.167938D+02 -0.112098D+02
      4   0.175099D+02  0.161802D+02  0.652263D+01  0.253300D+02  0.132453D+02
      5   0.161940D+02  0.593276D+01  0.139722D+02  0.933342D+01  0.678144D+01
      6   0.810713D+00 -0.322076D+00 -0.100218D+00  0.691758D+00  0.173982D+01
               231           232           233           234 
      1   0.746918D+01  0.344346D+02  0.743418D+01  0.122985D+02
      2  -0.286814D+01 -0.172884D+02 -0.312246D+01 -0.933314D+01
      3  -0.460105D+01 -0.171462D+02 -0.431172D+01 -0.296539D+01
      4   0.785785D+01  0.112761D+02  0.110122D+02  0.878961D+01
      5   0.118452D+02  0.199669D+02  0.844864D+01  0.140274D+02
      6   0.226898D+01  0.157218D+01  0.158407D+01  0.165001D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119865D+03      0.177621D+02      0.197630D+02
   aniso      0.418538D+02      0.620209D+01      0.690075D+01
   xx         0.146076D+03      0.216462D+02      0.240846D+02
   yx        -0.520217D+01     -0.770882D+00     -0.857722D+00
   yy         0.112388D+03      0.166542D+02      0.185303D+02
   zx        -0.281368D+01     -0.416944D+00     -0.463913D+00
   zy         0.141005D+01      0.208947D+00      0.232485D+00
   zz         0.101130D+03      0.149860D+02      0.166741D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119865D+03      0.177621D+02      0.197630D+02
   aniso      0.418538D+02      0.620209D+01      0.690075D+01
   xx         0.131254D+03      0.194499D+02      0.216409D+02
   yx         0.121705D+02      0.180348D+01      0.200664D+01
   yy         0.105969D+03      0.157030D+02      0.174719D+02
   zx        -0.158378D+02     -0.234693D+01     -0.261131D+01
   zy        -0.451700D+01     -0.669350D+00     -0.744752D+00
   zz         0.122371D+03      0.181335D+02      0.201763D+02

 ----------------------------------------------------------------------
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 THERE IS MUCH PLEASURE TO BE GAINED FROM USELESS KNOWLEDGE

                                       -- BERTRAND RUSSELL
 Job cpu time:       0 days 14 hours 11 minutes  3.5 seconds.
 Elapsed time:       0 days  0 hours 53 minutes 15.5 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:50:35 2021.
